[1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 3-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 3-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(2-phenylpropylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [1-oxo-1-(2-phenylpropylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylpropylamino)propan-2-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-1-methyl-2-(2-phenylpropylamino)ethyl] ester Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-13(15-7-4-3-5-8-15)12-20-18(22)14(2)26-19(23)16-9-6-10-17(11-16)21(24)25/h3-11,13-14H,12H2,1-2H3,(H,20,22)