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

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[[(3-nitrophenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitroanilino)methylene]pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitroanilino)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitroanilino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitroanilino)methylene]-2-pyrazolin-3-one Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c1-12-7-8-16(9-13(12)2)22-19(24)18(14(3)21-22)11-20-15-5-4-6-17(10-15)23(25)26/h4-11,20H,1-3H3/b18-11+