3-[(2E)-2-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoic acid

Systemtic Name: 3-[(2E)-2-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]benzoic acid Openeye Name: 3-[(2E)-2-(3-amino-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]benzoic acid CAS Name: 3-[(2E)-2-(3-amino-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]benzoic acid IUPAC Name: 3-[(2E)-2-(3-amino-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]benzoic acid Traditional Name: 3-[(N'E)-N'-(3-amino-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]benzoic acid Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=NNC3=CC=CC(=C3)C(=O)O)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=N/NC3=CC=CC(=C3)C(=O)O)/C(=N2)N

InChI

InChI=1S/C16H13N5O3/c17-14-13(15(22)21(20-14)12-7-2-1-3-8-12)19-18-11-6-4-5-10(9-11)16(23)24/h1-9,18H,(H2,17,20)(H,23,24)/b19-13+