[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-(2,6-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,6-dimethylanilino)-4-oxobutanoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-(2,6-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,6-dimethylanilino)-4-keto-butyric acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C20H19ClN2O6 MolecularWeight: 418.82766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O6/c1-12-4-3-5-13(2)20(12)22-18(25)8-9-19(26)29-11-17(24)14-6-7-15(21)16(10-14)23(27)28/h3-7,10H,8-9,11H2,1-2H3,(H,22,25)