[(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate

Systemtic Name: [(2S)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate Openeye Name: [(1S)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(1S)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c1-12(17(23)20-14-8-5-9-15(10-14)21(25)26)27-16(22)11-19-18(24)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3,(H,19,24)(H,20,23)/t12-/m0/s1