4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-nitro-benzoic acid

Systemtic Name: 4-[[3-methyl-1-(4-methylphenyl)-5-oxidanylidene-pyrazol-4-ylidene]methylamino]-3-nitro-benzoic acid Openeye Name: 4-[[3-methyl-5-oxo-1-(p-tolyl)pyrazol-4-ylidene]methylamino]-3-nitro-benzoic acid CAS Name: 4-[[3-methyl-1-(4-methylphenyl)-5-oxo-4-pyrazolylidene]methylamino]-3-nitrobenzoic acid IUPAC Name: 4-[[3-methyl-1-(4-methylphenyl)-5-oxopyrazol-4-ylidene]methylamino]-3-nitrobenzoic acid Traditional Name: 4-[[5-keto-3-methyl-1-(p-tolyl)-2-pyrazolin-4-ylidene]methylamino]-3-nitro-benzoic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-])C(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CNC3=C(C=C(C=C3)C(=O)O)[N+](=O)[O-])C(=N2)C

InChI

InChI=1S/C19H16N4O5/c1-11-3-6-14(7-4-11)22-18(24)15(12(2)21-22)10-20-16-8-5-13(19(25)26)9-17(16)23(27)28/h3-10,20H,1-2H3,(H,25,26)