[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic 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:

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

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C19H19N3O6/c1-13(23)20-17(14-6-3-2-4-7-14)11-19(25)28-12-18(24)21-15-8-5-9-16(10-15)22(26)27/h2-10,17H,11-12H2,1H3,(H,20,23)(H,21,24)/t17-/m1/s1