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

Systemtic Name: 4-[2-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]-3-nitro-benzoic acid Openeye Name: 4-[2-(3-amino-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]-3-nitro-benzoic acid CAS Name: 4-[2-(3-amino-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]-3-nitrobenzoic acid IUPAC Name: 4-[2-(3-amino-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]-3-nitrobenzoic acid Traditional Name: 4-[N'-(3-amino-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]-3-nitro-benzoic acid Formula: C16H12N6O5 MolecularWeight: 368.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=NNC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-])C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=NNC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-])C(=N2)N

InChI

InChI=1S/C16H12N6O5/c17-14-13(15(23)21(20-14)10-4-2-1-3-5-10)19-18-11-7-6-9(16(24)25)8-12(11)22(26)27/h1-8,18H,(H2,17,20)(H,24,25)