[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C20H22N4O6 MolecularWeight: 414.41188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6/c1-21-20(27)23-19(26)18(14-8-3-2-4-9-14)30-17(25)12-7-13-22-15-10-5-6-11-16(15)24(28)29/h2-6,8-11,18,22H,7,12-13H2,1H3,(H2,21,23,26,27)/t18-/m0/s1