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

Systemtic Name: (4E)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylene]-2-(3,4-dimethylphenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-(3,4-dimethylphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]-2-(3,4-dimethylphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-(4,5-dimethoxy-2-nitro-benzylidene)-2-(3,4-dimethylphenyl)-5-methyl-2-pyrazolin-3-one Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-12-6-7-16(8-13(12)2)23-21(25)17(14(3)22-23)9-15-10-19(28-4)20(29-5)11-18(15)24(26)27/h6-11H,1-5H3/b17-9+