[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1R)-2-keto-2-morpholino-1-phenyl-ethyl] ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O6/c1-22(2)17-9-8-16(14-18(17)24(27)28)21(26)30-19(15-6-4-3-5-7-15)20(25)23-10-12-29-13-11-23/h3-9,14,19H,10-13H2,1-2H3/t19-/m1/s1