(4E)-5-methyl-2-(4-methylphenyl)-4-[[(4-nitrophenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[[(4-nitrophenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[(4-nitroanilino)methylene]-2-(p-tolyl)pyrazol-3-one CAS Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[(4-nitroanilino)methylidene]-3-pyrazolone IUPAC Name: (4E)-5-methyl-2-(4-methylphenyl)-4-[(4-nitroanilino)methylidene]pyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(4-nitroanilino)methylene]-2-(p-tolyl)-2-pyrazolin-3-one Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C/NC3=CC=C(C=C3)[N+](=O)[O-])/C(=N2)C

InChI

InChI=1S/C18H16N4O3/c1-12-3-7-15(8-4-12)21-18(23)17(13(2)20-21)11-19-14-5-9-16(10-6-14)22(24)25/h3-11,19H,1-2H3/b17-11+