 | | 4Y3 | | Name: | [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3$l^{4}-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C8 H15 F N3 O12 P3 S | | SMILES: | NC1=NC(=O)N(C=C1F)[CH]2C[SH2][CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2 | | InChi: | InChI=1S/C8H15FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3,28H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m1/s1 | | Definition date: | 2015-06-19 | | Last modified: | 2024-02-24 | | Release date: | 2016-01-27 | | Identifier: | [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3$l^{4}-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | O1O | | Name: | 1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione | | Formula: | C21 H19 F3 N2 O7 S | | SMILES: | CN1C(=O)N(C(=O)C=C1C(F)(F)F)c2c(C)c(ccc2[S](C)(=O)=O)C(=O)C3=C(O)CCCC3=O | | InChi: | InChI=1S/C21H19F3N2O7S/c1-10-11(19(30)17-12(27)5-4-6-13(17)28)7-8-14(34(3,32)33)18(10)26-16(29)9-15(21(22,23)24)25(2)20(26)31/h7-9,27H,4-6H2,1-3H3 | | Definition date: | 2023-01-20 | | Last modified: | 2023-12-15 | | Release date: | 2023-12-20 | | Identifier: | 1-methyl-3-[2-methyl-6-methylsulfonyl-3-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-phenyl]-6-(trifluoromethyl)pyrimidine-2,4-dione |
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 | | TRP | | Name: | TRYPTOPHAN | | Formula: | C11 H12 N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2023-11-03 | | Identifier: | L-tryptophan |
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 | | KYN | | Name: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid | | Formula: | C10 H12 N2 O3 | | SMILES: | O=C(c1ccccc1N)CC(C(=O)O)N | | InChi: | InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1 | | Synonyms: | L-KYNURENINE | | Definition date: | 2004-05-16 | | Last modified: | 2023-11-03 | | Identifier: | (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid |
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 | | NMM | | Name: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid | | Formula: | C7 H16 N4 O2 | | SMILES: | O=C(O)C(N)CCCNC(=[N@H])NC | | InChi: | InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1 | | Synonyms: | L-NMMA | | Definition date: | 2005-12-28 | | Last modified: | 2023-11-03 | | Identifier: | N~5~-(N-methylcarbamimidoyl)-L-ornithine |
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 | | WTT | | Name: | [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid | | Formula: | C30 H28 F3 N3 O4 | | SMILES: | O=C(O)CC1CCC(CC1)c1ccc(cc1)c1ccc2nc(cn2c1)C(=O)NCc1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)/t19-,21- | | Definition date: | 2022-10-18 | | Last modified: | 2023-06-02 | | Release date: | 2023-06-07 | | Identifier: | [(1S,4r)-4-{4-[(4S)-2-({[4-(trifluoromethoxy)phenyl]methyl}carbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl}cyclohexyl]acetic acid |
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 | | KFC | | Name: | ~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide | | Formula: | C22 H23 N3 O | | SMILES: | Cc1ccc2nc(cc(Nc3ccccc3)c2c1)C(=O)NC4CCCC4 | | InChi: | InChI=1S/C22H23N3O/c1-15-11-12-19-18(13-15)20(23-16-7-3-2-4-8-16)14-21(25-19)22(26)24-17-9-5-6-10-17/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H,23,25)(H,24,26) | | Definition date: | 2022-05-25 | | Last modified: | 2022-09-23 | | Release date: | 2022-09-28 | | Identifier: | ~{N}-cyclopentyl-6-methyl-4-phenylazanyl-quinoline-2-carboxamide |
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 | | QOR | | Name: | (1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C20 H22 N4 O5 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1 | | InChi: | InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m1/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | QP9 | | Name: | (1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid | | Formula: | C20 H22 N4 O5 | | SMILES: | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ncc(nc1)NC1CCOCC1 | | InChi: | InChI=1S/C20H22N4O5/c25-16-3-1-2-12-13(16)8-14(20(27)28)18(12)24-19(26)15-9-22-17(10-21-15)23-11-4-6-29-7-5-11/h1-3,9-11,14,18,25H,4-8H2,(H,22,23)(H,24,26)(H,27,28)/t14-,18+/m0/s1 | | Definition date: | 2022-06-14 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid |
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 | | 1QD | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C24 H28 I N6 O13 P2 | | SMILES: | Ic1cccc2c[n+](ccc21)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C24H27IN6O13P2/c25-13-3-1-2-11-6-30(5-4-12(11)13)23-19(34)17(32)14(42-23)7-40-45(36,37)44-46(38,39)41-8-15-18(33)20(35)24(43-15)31-10-29-16-21(26)27-9-28-22(16)31/h1-6,9-10,14-15,17-20,23-24,32-35H,7-8H2,(H3-,26,27,28,36,37,38,39)/p+1/t14-,15-,17-,18-,19-,20-,23-,24-/m1/s1 | | Definition date: | 2021-06-23 | | Last modified: | 2022-03-18 | | Release date: | 2022-03-23 | | Identifier: | 2-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-iodoisoquinolin-2-ium (non-preferred name) |
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 | | JBF | | Name: | 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid | | Formula: | C15 H9 F N2 O3 | | SMILES: | OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F | | InChi: | InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20) | | Definition date: | 2021-05-12 | | Last modified: | 2022-01-14 | | Release date: | 2022-01-19 | | Identifier: | 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid |
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 | | YR7 | | Name: | 2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide | | Formula: | C23 H39 F N6 O2 | | SMILES: | OC1CCC(CC1)Nc1nc(NCCCC)ncc1C(=O)NC1CCN(CCCF)CC1 | | InChi: | InChI=1S/C23H39FN6O2/c1-2-3-12-25-23-26-16-20(21(29-23)27-17-5-7-19(31)8-6-17)22(32)28-18-9-14-30(15-10-18)13-4-11-24/h16-19,31H,2-15H2,1H3,(H,28,32)(H2,25,26,27,29)/t17-,19- | | Definition date: | 2021-03-25 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 2-(butylamino)-N-[1-(3-fluoropropyl)piperidin-4-yl]-4-{[(1r,4r)-4-hydroxycyclohexyl]amino}pyrimidine-5-carboxamide |
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 | | R8W | | Name: | 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C21 H20 N4 O2 | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(Cn4cncn4)cc3 | | InChi: | InChI=1S/C21H20N4O2/c1-13(2)16-4-3-5-17-18(20(21(26)27)24-19(16)17)15-8-6-14(7-9-15)10-25-12-22-11-23-25/h3-9,11-13,24H,10H2,1-2H3,(H,26,27) | | Definition date: | 2020-09-18 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | GKX | | Name: | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid | | Formula: | C20 H29 N O3 | | SMILES: | OC(=O)[CH](Cc1ccccc1)NC(=O)CCCCC2CCCCC2 | | InChi: | InChI=1S/C20H29NO3/c22-19(14-8-7-11-16-9-3-1-4-10-16)21-18(20(23)24)15-17-12-5-2-6-13-17/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H,21,22)(H,23,24)/t18-/m0/s1 | | Definition date: | 2020-09-04 | | Last modified: | 2021-09-03 | | Release date: | 2021-09-08 | | Identifier: | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid |
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 | | 8GD | | Name: | 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate) | | Formula: | C10 H15 N5 O11 P2 | | SMILES: | NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O3)C(=O)N1 | | InChi: | InChI=1S/C10H15N5O11P2/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(25-5)2-24-28(22,23)26-27(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 | | Synonyms: | 8-oxo-7,8-dihydro-2'-deoxy-guanosine-5'-diphosphate | | Definition date: | 2010-01-09 | | Last modified: | 2021-03-13 | | Identifier: | [(2R,3S,5R)-5-(2-azanyl-6,8-dioxo-1,7-dihydropurin-9-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate |
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 | | 2Z3 | | Name: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide | | Formula: | C32 H49 F2 N5 O7 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)(O)C(F)(F)C(=O)NC)CCCC)Cc2ccccc2)N3CCOCC3 | | InChi: | InChI=1S/C32H49F2N5O7/c1-3-4-15-24(27(40)38-26(21-23-13-9-6-10-14-23)32(44,45)31(33,34)29(42)35-2)36-28(41)25(20-22-11-7-5-8-12-22)37-30(43)39-16-18-46-19-17-39/h5,7-8,11-12,23-26,44-45H,3-4,6,9-10,13-21H2,1-2H3,(H,35,42)(H,36,41)(H,37,43)(H,38,40)/t24-,25-,26-/m0/s1 | | Synonyms: | CP-81,282 | | Definition date: | 2008-08-28 | | Last modified: | 2021-03-13 | | Identifier: | N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide |
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 | | SH0 | | Name: | 3,3',3'',3'''-[(1R,2S,3S,4S,7S,8S,11S,12S,13S,16S,19S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-1,2,3,4,7,8,11,12,13,16,19,20,22,24-tetradecahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate | | Formula: | C42 H52 N4 O16 | | SMILES: | O=C(O)CCC1=C(C2=NC1CC5N=C(C=C4NC(=CC3NC(=C2)C(C)(C3CCC(=O)O)CC(=O)O)C(CC(=O)O)(C)C4CCC(=O)O)C(CC(=O)O)C5CCC(=O)O)CC(=O)O | | InChi: | InChI=1S/C42H52N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,19,21,23-26,30,45-46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,31-15-,32-16-/t19-,21-,23+,24+,25+,26-,30+,41-,42-/m0/s1 | | Synonyms: | Sirohydrochlorin | | Definition date: | 2014-07-09 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-16 | | Identifier: | 3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,12S,13S,19S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-1,2,3,7,8,11,12,13,19,20-decahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid |
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 | | CIX | | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide | | Formula: | C25 H42 B N3 O6 | | SMILES: | O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C | | InChi: | InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1 | | Synonyms: | MG262 | | Definition date: | 2012-08-02 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide |
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 | | 173 | | Name: | BENZOYL-FORMIC ACID | | Formula: | C8 H6 O3 | | SMILES: | O=C(C(=O)O)c1ccccc1 | | InChi: | InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11) | | Synonyms: | OXO(PHENYL)ACETIC ACID | | Definition date: | 2004-04-09 | | Last modified: | 2021-03-01 | | Identifier: | oxo(phenyl)acetic acid |
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 | | EPG | | Name: | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside | | Formula: | C9 H16 O7 | | SMILES: | O(CC1OC1)C2OC(C(O)C(O)C2O)CO | | InChi: | InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1 | | Synonyms: | 2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL | | Definition date: | 2002-11-28 | | Last modified: | 2020-07-17 | | Identifier: | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside |
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 | | 491 | | Name: | 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose | | Formula: | C11 H20 N O11 P | | SMILES: | O=C(O)C(OC1C(O)C(OC(OP(=O)(O)O)C1NC(=O)C)CO)C | | InChi: | InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1 | | Synonyms: | 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose | | Definition date: | 2015-02-16 | | Last modified: | 2020-07-17 | | Release date: | 2015-03-18 | | Identifier: | 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose |
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 | | YCU | | Name: | 1-[5-(2-METHOXYETHYL)-4-METHYL-THIOPHEN-2-YL]SULFONYL-3-[4-METHOXY-6-(METHYLCARBAMOYLAMINO)PYRIDIN-2-YL]UREA | | Formula: | C17 H23 N5 O6 S2 | | SMILES: | CNC(=O)Nc1cc(OC)cc(NC(=O)N[S](=O)(=O)c2sc(CCOC)c(C)c2)n1 | | InChi: | InChI=1S/C17H23N5O6S2/c1-10-7-15(29-12(10)5-6-27-3)30(25,26)22-17(24)21-14-9-11(28-4)8-13(19-14)20-16(23)18-2/h7-9H,5-6H2,1-4H3,(H4,18,19,20,21,22,23,24) | | Synonyms: | RO5207315 | | Definition date: | 2011-01-14 | | Last modified: | 2020-06-17 | | Identifier: | 1-[5-(2-methoxyethyl)-4-methyl-thiophen-2-yl]sulfonyl-3-[4-methoxy-6-(methylcarbamoylamino)pyridin-2-yl]urea |
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 | | AYE | | Name: | prop-2-en-1-amine | | Formula: | C3 H7 N | | SMILES: | C=CCN | | InChi: | InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2 | | Synonyms: | ALLYLAMINE | | Definition date: | 2009-02-02 | | Last modified: | 2020-06-17 | | Identifier: | prop-2-en-1-amine |
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 | | E77 | | Name: | (4S)-4-[(1R)-1,2-dihydroxyethyl]-N,N-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide | | Formula: | C24 H30 N2 O6 | | SMILES: | C(C1Cc3cc(OCCCCOc2cc(C(N1)=O)cc(c2)C(=O)N(C)C)ccc3)(O)CO | | InChi: | InChI=1S/C24H30N2O6/c1-26(2)24(30)18-12-17-13-20(14-18)32-9-4-3-8-31-19-7-5-6-16(10-19)11-21(22(28)15-27)25-23(17)29/h5-7,10,12-14,21-22,27-28H,3-4,8-9,11,15H2,1-2H3,(H,25,29)/t21-,22-/m0/s1 | | Definition date: | 2017-12-04 | | Last modified: | 2020-05-29 | | Release date: | 2020-06-03 | | Identifier: | (4S)-4-[(1R)-1,2-dihydroxyethyl]-N,N-dimethyl-2-oxo-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaene-19-carboxamide |
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 | | CB1 | | Name: | 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE | | Formula: | C9 H8 N4 O5 | | SMILES: | [O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N | | InChi: | InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14) | | Synonyms: | CB1954 | | Definition date: | 2001-04-06 | | Last modified: | 2020-05-27 | | Identifier: | 5-aziridin-1-yl-2,4-dinitrobenzamide |
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