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

Systemtic Name: [(1R)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1R)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-20(2)15-11-10-14(12-16(15)22(25)26)19(24)27-17(18(23)21(3)4)13-8-6-5-7-9-13/h5-12,17H,1-4H3/t17-/m1/s1