[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C18H18N2O6 MolecularWeight: 358.34532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6/c1-19(2)17(21)16(12-7-5-4-6-8-12)26-18(22)13-9-10-15(25-3)14(11-13)20(23)24/h4-11,16H,1-3H3/t16-/m0/s1