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

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitrophenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitrophenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-[(3-nitrophenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-5-methyl-4-(3-nitrobenzylidene)-2-pyrazolin-3-one Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=N2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3/c1-12-7-8-16(9-13(12)2)21-19(23)18(14(3)20-21)11-15-5-4-6-17(10-15)22(24)25/h4-11H,1-3H3/b18-11+