[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H21NO6/c1-13-4-6-16(10-15(13)3)19(23)8-9-21(25)28-12-20(24)17-7-5-14(2)18(11-17)22(26)27/h4-7,10-11H,8-9,12H2,1-3H3