[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-4-22(5-2)20(24)19(15-10-8-7-9-11-15)29-21(25)16-12-13-18(28-6-3)17(14-16)23(26)27/h7-14,19H,4-6H2,1-3H3/t19-/m0/s1