[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-18(2)16(20)15(12-7-4-3-5-8-12)24-17(21)13-9-6-10-14(11-13)19(22)23/h3-11,15H,1-2H3/t15-/m0/s1