[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidopropanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C19H19N3O6 MolecularWeight: 385.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O6/c1-12(20-18(24)14-6-4-3-5-7-14)19(25)28-13(2)17(23)21-15-8-10-16(11-9-15)22(26)27/h3-13H,1-2H3,(H,20,24)(H,21,23)