[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-nitrobenzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5/c1-13(17(21)19-12-11-14-5-3-2-4-6-14)25-18(22)15-7-9-16(10-8-15)20(23)24/h2-10,13H,11-12H2,1H3,(H,19,21)