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

Systemtic Name: 4-[2-[1-(4-nitrophenyl)-5-oxidanylidene-3-phenyl-pyrazol-4-ylidene]hydrazinyl]benzoic acid Openeye Name: 4-[2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-pyrazol-4-ylidene]hydrazino]benzoic acid CAS Name: 4-[2-[1-(4-nitrophenyl)-5-oxo-3-phenyl-4-pyrazolylidene]hydrazinyl]benzoic acid IUPAC Name: 4-[2-[1-(4-nitrophenyl)-5-oxo-3-phenylpyrazol-4-ylidene]hydrazinyl]benzoic acid Traditional Name: 4-[N'-[5-keto-1-(4-nitrophenyl)-3-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)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C2=NNC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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