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

Systemtic Name: [(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5/c1-3-21(4-2)18(23)17(13-8-6-5-7-9-13)27-19(24)14-10-11-15(20)16(12-14)22(25)26/h5-12,17H,3-4H2,1-2H3/t17-/m0/s1