[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-(2-methylanilino)-4-oxo-butanoate CAS Name: 4-(2-methylanilino)-4-oxobutanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-(2-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-toluidino)butyric acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-13-5-2-3-8-16(13)21-17(23)9-10-19(25)28-12-18(24)20-14-6-4-7-15(11-14)22(26)27/h2-8,11H,9-10,12H2,1H3,(H,20,24)(H,21,23)