[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C20H21N3O5/c1-22(2)17-11-10-15(23(26)27)12-16(17)20(25)28-18(13-6-4-3-5-7-13)19(24)21-14-8-9-14/h3-7,10-12,14,18H,8-9H2,1-2H3,(H,21,24)/t18-/m1/s1