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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-nitrophenyl)amino]butanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-(4-nitroanilino)butanoate CAS Name: 4-(4-nitroanilino)butanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4-nitroanilino)butanoate Traditional Name: 4-(4-nitroanilino)butyric acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5/c1-14-5-6-17(12-15(14)2)22-19(24)13-28-20(25)4-3-11-21-16-7-9-18(10-8-16)23(26)27/h5-10,12,21H,3-4,11,13H2,1-2H3,(H,22,24)