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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-(4-nitroanilino)-4-oxo-butanoate CAS Name: 4-(4-nitroanilino)-4-oxobutanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitroanilino)butyric acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H21N3O6/c1-13-3-4-16(11-14(13)2)22-19(25)12-29-20(26)10-9-18(24)21-15-5-7-17(8-6-15)23(27)28/h3-8,11H,9-10,12H2,1-2H3,(H,21,24)(H,22,25)