(4-aminocarbonyl-2-nitro-phenyl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C20H20N2O6/c1-12-3-4-14(9-13(12)2)18(23)7-8-19(24)28-11-16-6-5-15(20(21)25)10-17(16)22(26)27/h3-6,9-10H,7-8,11H2,1-2H3,(H2,21,25)