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

Systemtic Name: 3-[2-[3-(4-nitrophenyl)-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene]hydrazinyl]benzoic acid Openeye Name: 3-[2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-pyrazol-4-ylidene]hydrazino]benzoic acid CAS Name: 3-[2-[3-(4-nitrophenyl)-5-oxo-1-phenyl-4-pyrazolylidene]hydrazinyl]benzoic acid IUPAC Name: 3-[2-[3-(4-nitrophenyl)-5-oxo-1-phenylpyrazol-4-ylidene]hydrazinyl]benzoic acid Traditional Name: 3-[N'-[5-keto-3-(4-nitrophenyl)-1-phenyl-2-pyrazolin-4-ylidene]hydrazino]benzoic acid Formula: C22H15N5O5 MolecularWeight: 429.385

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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)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=NNC3=CC=CC(=C3)C(=O)O)C(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O5/c28-21-20(24-23-16-6-4-5-15(13-16)22(29)30)19(14-9-11-18(12-10-14)27(31)32)25-26(21)17-7-2-1-3-8-17/h1-13,23H,(H,29,30)