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

Systemtic Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-methoxy-3-nitro-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3,4-dimethylphenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3,4-dimethylphenyl)-4-(4-methoxy-3-nitro-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-12-5-7-16(9-13(12)2)22-20(24)17(14(3)21-22)10-15-6-8-19(27-4)18(11-15)23(25)26/h5-11H,1-4H3/b17-10+