[(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-nitrobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2-nitrobenzoate Openeye Name: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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