[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(3-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-(3-methylanilino)-4-oxo-butanoate CAS Name: 4-(3-methylanilino)-4-oxobutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-(3-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(m-toluidino)butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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