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U14

Summary
Name:3-(5-AMINO-3-IMINO-3H-PYRAZOL-4-YLAZO)-BENZOIC ACID
Formula:C10 H8 N6 O2
Formal charge:0
Formula weight:244.21 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-{(E)-[(3Z)-5-amino-3-imino-3H-pyrazol-4-yl]diazenyl}benzoic acid
OpenEye OEToolkits1.5.03-(3-amino-5-imino-pyrazol-4-yl)diazenylbenzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c2cc(/N=N/C=1C(=[N@H])N=NC=1N)ccc2
SMILES_CANONICALCACTVS3.341NC1=C(N=Nc2cccc(c2)C(O)=O)C(=N)N=N1
SMILESCACTVS3.341NC1=C(N=Nc2cccc(c2)C(O)=O)C(=N)N=N1
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C\1/C(=C(N=N1)N)/N=N/c2cccc(c2)C(=O)O
SMILESOpenEye OEToolkits1.5.0[H]N=C1C(=C(N=N1)N)N=Nc2cccc(c2)C(=O)O
InChIInChI1.03InChI=1S/C10H8N6O2/c11-8-7(9(12)16-15-8)14-13-6-3-1-2-5(4-6)10(17)18/h1-4,11H,12H2,(H,17,18)/b11-8-,14-13+
InChIKeyInChI1.03PIUSHRUXZPMNPD-KBABRGLLSA-N

222415

PDB entries from 2024-07-10

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