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O15

Summary
Name:(E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid
Formula:C12 H15 N3 O3
Formal charge:0
Formula weight:249.266 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.022-({[(E)-(4-carbamimidoylphenyl)methylidene]amino}oxy)-2-methylpropanoic acid
OpenEye OEToolkits1.6.12-[(E)-(4-carbamimidoylphenyl)methylideneamino]oxy-2-methyl-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(O)C(O\N=C\c1ccc(C(=[N@H])N)cc1)(C)C
SMILES_CANONICALCACTVS3.352CC(C)(O/N=C/c1ccc(cc1)C(N)=N)C(O)=O
SMILESCACTVS3.352CC(C)(ON=Cc1ccc(cc1)C(N)=N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0[H]/N=C(/c1ccc(cc1)/C=N/OC(C)(C)C(=O)O)\N
SMILESOpenEye OEToolkits1.7.0CC(C)(C(=O)O)ON=Cc1ccc(cc1)C(=N)N
InChIInChI1.03InChI=1S/C12H15N3O3/c1-12(2,11(16)17)18-15-7-8-3-5-9(6-4-8)10(13)14/h3-7H,1-2H3,(H3,13,14)(H,16,17)/b15-7+
InChIKeyInChI1.03XNCYVTKDNMFVND-VIZOYTHASA-N

222415

數據於2024-07-10公開中

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