 | | EOG | | Name: | 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C18 H14 Cl N5 O | | SMILES: | c31ccc(cc1n4c(c2c(cccc2)Cl)nnc4c(n3)C)C(NC)=O | | InChi: | InChI=1S/C18H14ClN5O/c1-10-16-22-23-17(12-5-3-4-6-13(12)19)24(16)15-9-11(18(25)20-2)7-8-14(15)21-10/h3-9H,1-2H3,(H,20,25) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(2-chlorophenyl)-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EOJ | | Name: | 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C27 H26 Cl N5 O | | SMILES: | C1C3(CC2CC(CC1C2)C3)NC(c4cc7c(cc4)nc(c6nnc(c5ccccc5Cl)n67)C)=O | | InChi: | InChI=1S/C27H26ClN5O/c1-15-24-31-32-25(20-4-2-3-5-21(20)28)33(24)23-11-19(6-7-22(23)29-15)26(34)30-27-12-16-8-17(13-27)10-18(9-16)14-27/h2-7,11,16-18H,8-10,12-14H2,1H3,(H,30,34)/t16-,17+,18-,27- | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(2-chlorophenyl)-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EOS | | Name: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C22 H22 Cl N5 O2 | | SMILES: | c2c(ccc3nc(C)c4nnc(c1c(ccc(c1)OCC(C)C)Cl)n4c23)C(NC)=O | | InChi: | InChI=1S/C22H22ClN5O2/c1-12(2)11-30-15-6-7-17(23)16(10-15)21-27-26-20-13(3)25-18-8-5-14(22(29)24-4)9-19(18)28(20)21/h5-10,12H,11H2,1-4H3,(H,24,29) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-N,4-dimethyl[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EOY | | Name: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C31 H34 Cl N5 O2 | | SMILES: | c2c(ccc3nc(C)c4nnc(c1c(ccc(c1)OCC(C)C)Cl)n4c23)C(NC76CC5CC(CC(C5)C6)C7)=O | | InChi: | InChI=1S/C31H34ClN5O2/c1-17(2)16-39-23-5-6-25(32)24(12-23)29-36-35-28-18(3)33-26-7-4-22(11-27(26)37(28)29)30(38)34-31-13-19-8-20(14-31)10-21(9-19)15-31/h4-7,11-12,17,19-21H,8-10,13-16H2,1-3H3,(H,34,38)/t19-,20+,21-,31- | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-[2-chloro-5-(2-methylpropoxy)phenyl]-4-methyl-N-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl][1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EP7 | | Name: | 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C22 H22 Cl N5 O2 | | SMILES: | c2c(ccc3nc(C)c4nnc(c1c(Cl)ccc(c1)OC)n4c23)C(NCC(C)C)=O | | InChi: | InChI=1S/C22H22ClN5O2/c1-12(2)11-24-22(29)14-5-8-18-19(9-14)28-20(13(3)25-18)26-27-21(28)16-10-15(30-4)6-7-17(16)23/h5-10,12H,11H2,1-4H3,(H,24,29) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(2-chloro-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | EPV | | Name: | 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide | | Formula: | C25 H28 Cl N5 O2 | | SMILES: | c1c(ccc2nc(C)c3nnc(n3c12)c4cc(ccc4Cl)OC(C)(C)C)C(NCC(C)C)=O | | InChi: | InChI=1S/C25H28ClN5O2/c1-14(2)13-27-24(32)16-7-10-20-21(11-16)31-22(15(3)28-20)29-30-23(31)18-12-17(8-9-19(18)26)33-25(4,5)6/h7-12,14H,13H2,1-6H3,(H,27,32) | | Definition date: | 2018-01-24 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide |
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 | | FF2 | | Name: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide | | Formula: | C9 H6 Cl N O2 S | | SMILES: | ONC(=O)c1sc2cccc(Cl)c2c1 | | InChi: | InChI=1S/C9H6ClNO2S/c10-6-2-1-3-7-5(6)4-8(14-7)9(12)11-13/h1-4,13H,(H,11,12) | | Definition date: | 2018-06-26 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide |
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 | | FG8 | | Name: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide | | Formula: | C15 H12 Cl N O2 S | | SMILES: | ONC(=O)C=Cc1ccccc1Sc2ccc(Cl)cc2 | | InChi: | InChI=1S/C15H12ClNO2S/c16-12-6-8-13(9-7-12)20-14-4-2-1-3-11(14)5-10-15(18)17-19/h1-10,19H,(H,17,18)/b10-5+ | | Definition date: | 2018-06-27 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide |
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 | | FGN | | Name: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide | | Formula: | C16 H13 Cl2 N O3 | | SMILES: | ONC(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl | | InChi: | InChI=1S/C16H13Cl2NO3/c17-13-5-3-6-14(18)12(13)10-22-15-7-2-1-4-11(15)8-9-16(20)19-21/h1-9,21H,10H2,(H,19,20)/b9-8+ | | Definition date: | 2018-06-28 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide |
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 | | FHY | | Name: | (2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid | | Formula: | C20 H32 N2 O13 | | SMILES: | CC(=O)NC2C(OC)OC1COC(OC1C2OC3OC(CO)C(C(C3NC(C)=O)O)O)(C)C(O)=O | | InChi: | InChI=1S/C20H32N2O13/c1-7(24)21-11-14(27)13(26)9(5-23)32-18(11)34-16-12(22-8(2)25)17(30-4)33-10-6-31-20(3,19(28)29)35-15(10)16/h9-18,23,26-27H,5-6H2,1-4H3,(H,21,24)(H,22,25)(H,28,29)/t9-,10-,11-,12+,13-,14-,15-,16-,17-,18+,20+/m1/s1 | | Definition date: | 2018-04-02 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid |
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 | | 9T6 | | Name: | 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide | | Formula: | C18 H22 N4 O2 | | SMILES: | NC(=O)c1cnc2[nH]ccc2c1N[CH]3[CH]4CC5C[CH]3CC(O)(C5)C4 | | InChi: | InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22)/t9-,10-,11+,14-,18- | | Definition date: | 2018-07-25 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 4-[[(1~{S},3~{R})-5-oxidanyl-2-adamantyl]amino]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide |
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 | | BWH | | Name: | albicidin | | Formula: | C44 H38 N6 O12 | | SMILES: | COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[CH](CC#N)NC(=O)c4ccc(NC(=O)C(C)=Cc5ccc(O)cc5)cc4)cc3)c(OC)c2O)C(O)=O | | InChi: | InChI=1S/C44H38N6O12/c1-23(22-24-4-14-29(51)15-5-24)39(54)46-27-10-6-26(7-11-27)41(56)50-34(20-21-45)43(58)47-28-12-8-25(9-13-28)40(55)48-32-18-16-30(35(52)37(32)61-2)42(57)49-33-19-17-31(44(59)60)36(53)38(33)62-3/h4-19,22,34,51-53H,20H2,1-3H3,(H,46,54)(H,47,58)(H,48,55)(H,49,57)(H,50,56)(H,59,60)/b23-22+/t34-/m0/s1 | | Definition date: | 2017-10-25 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 4-[[4-[[4-[[(2~{S})-3-cyano-2-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]propanoyl]amino]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid |
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 | | 6LA | | Name: | methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside | | Formula: | C12 H19 N O8 | | SMILES: | CC(=O)NC2C(O)C1OC(C(O)=O)(C)OCC1OC2OC | | InChi: | InChI=1S/C12H19NO8/c1-5(14)13-7-8(15)9-6(20-10(7)18-3)4-19-12(2,21-9)11(16)17/h6-10,15H,4H2,1-3H3,(H,13,14)(H,16,17)/t6-,7+,8-,9-,10-,12+/m1/s1 | | Definition date: | 2016-04-28 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | methyl 2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranoside |
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 | | DV3 | | Name: | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol | | Formula: | C5 H11 O5 P S | | SMILES: | O(P(S)(O)=O)CC1OCCC1O | | InChi: | InChI=1S/C5H11O5PS/c6-4-1-2-9-5(4)3-10-11(7,8)12/h4-6H,1-3H2,(H2,7,8,12)/t4-,5+/m0/s1 | | Definition date: | 2017-11-22 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | 1,4-anhydro-2-deoxy-5-O-thiophosphono-D-erythro-pentitol |
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 | | TB8 | | Name: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide | | Formula: | C9 H8 Cl N O2 | | SMILES: | ONC(=O)C=Cc1ccccc1Cl | | InChi: | InChI=1S/C9H8ClNO2/c10-8-4-2-1-3-7(8)5-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-5+ | | Definition date: | 2018-06-27 | | Last modified: | 2018-08-10 | | Release date: | 2018-08-15 | | Identifier: | (~{E})-3-(2-chlorophenyl)-~{N}-oxidanyl-prop-2-enamide |
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 | | ZUI | | Name: | 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione | | Formula: | C22 H23 Cl N4 O3 | | SMILES: | CC1=CN(C2CCN(CC2)Cc3cncc(Oc4cccc(Cl)c4)c3)C(=O)NC1=O | | InChi: | InChI=1S/C22H23ClN4O3/c1-15-13-27(22(29)25-21(15)28)18-5-7-26(8-6-18)14-16-9-20(12-24-11-16)30-19-4-2-3-17(23)10-19/h2-4,9-13,18H,5-8,14H2,1H3,(H,25,28,29) | | Definition date: | 2017-04-25 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione |
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 | | ZW2 | | Name: | 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione | | Formula: | C13 H10 N2 O3 S | | SMILES: | C1(=O)N(C(=O)Nc2c1cc(s2)Cc3ccccc3)O | | InChi: | InChI=1S/C13H10N2O3S/c16-12-10-7-9(6-8-4-2-1-3-5-8)19-11(10)14-13(17)15(12)18/h1-5,7,18H,6H2,(H,14,17) | | Definition date: | 2017-08-16 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
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 | | HDO | | Name: | 1-hydroxydodecan-4-one | | Formula: | C12 H24 O2 | | SMILES: | C(CCC(CCCCCCCC)=O)O | | InChi: | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-9-12(14)10-8-11-13/h13H,2-11H2,1H3 | | Definition date: | 2017-09-05 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 1-hydroxydodecan-4-one |
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 | | G67 | | Name: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide | | Formula: | C37 H41 N9 O3 S | | SMILES: | O=C(N1CCC(=CC1)c3ccc(c2nn(C)cn2)cc3)CN4CC(CC4)(SC)C(=O)Nc5cc6c(cc5)nnc6c7cnc(cc7)OC(C)C | | InChi: | InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1 | | Definition date: | 2018-05-09 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide |
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 | | 4IB | | Name: | TETRAIODOBISPHENOLA | | Formula: | C15 H12 I4 O2 | | SMILES: | CC(C)(c1cc(I)c(O)c(I)c1)c2cc(I)c(O)c(I)c2 | | InChi: | InChI=1S/C15H12I4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3 | | Definition date: | 2016-11-24 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 4-[2-[3,5-bis(iodanyl)-4-oxidanyl-phenyl]propan-2-yl]-2,6-bis(iodanyl)phenol |
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 | | FX7 | | Name: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate | | Formula: | C22 H24 Br2 N2 O5 | | SMILES: | C(CCC)CCCC(Oc1c(Br)cc(Br)cc1CNC(c2ccccc2[N+]([O-])=O)=O)=O | | InChi: | InChI=1S/C22H24Br2N2O5/c1-2-3-4-5-6-11-20(27)31-21-15(12-16(23)13-18(21)24)14-25-22(28)17-9-7-8-10-19(17)26(29)30/h7-10,12-13H,2-6,11,14H2,1H3,(H,25,28) | | Definition date: | 2018-04-23 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate |
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 | | FXD | | Name: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate | | Formula: | C21 H14 Br2 N2 O5 | | SMILES: | [N+]([O-])(c1ccccc1C(=O)NCc2c(c(cc(c2)Br)Br)OC(=O)c3ccccc3)=O | | InChi: | InChI=1S/C21H14Br2N2O5/c22-15-10-14(12-24-20(26)16-8-4-5-9-18(16)25(28)29)19(17(23)11-15)30-21(27)13-6-2-1-3-7-13/h1-11H,12H2,(H,24,26) | | Definition date: | 2018-04-23 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate |
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 | | FXJ | | Name: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate | | Formula: | C22 H16 Br2 N2 O6 | | SMILES: | c2(Br)cc(cc(CNC(c1ccccc1[N+]([O-])=O)=O)c2OC(c3ccc(cc3)OC)=O)Br | | InChi: | InChI=1S/C22H16Br2N2O6/c1-31-16-8-6-13(7-9-16)22(28)32-20-14(10-15(23)11-18(20)24)12-25-21(27)17-4-2-3-5-19(17)26(29)30/h2-11H,12H2,1H3,(H,25,27) | | Definition date: | 2018-04-23 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate |
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 | | FXS | | Name: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate | | Formula: | C21 H13 Br2 N3 O7 | | SMILES: | c1ccc(c(c1)[N+](=O)[O-])C(Oc2c(cc(cc2Br)Br)CNC(c3c(cccc3)[N+]([O-])=O)=O)=O | | InChi: | InChI=1S/C21H13Br2N3O7/c22-13-9-12(11-24-20(27)14-5-1-3-7-17(14)25(29)30)19(16(23)10-13)33-21(28)15-6-2-4-8-18(15)26(31)32/h1-10H,11H2,(H,24,27) | | Definition date: | 2018-04-23 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate |
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 | | FY1 | | Name: | N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide | | Formula: | C16 H14 Br2 N2 O5 | | SMILES: | [N+]([O-])(c1c(cccc1)C(NCc2c(c(Br)cc(c2)Br)OCOC)=O)=O | | InChi: | InChI=1S/C16H14Br2N2O5/c1-24-9-25-15-10(6-11(17)7-13(15)18)8-19-16(21)12-4-2-3-5-14(12)20(22)23/h2-7H,8-9H2,1H3,(H,19,21) | | Definition date: | 2018-04-23 | | Last modified: | 2018-08-03 | | Release date: | 2018-08-08 | | Identifier: | N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide |
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