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

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-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)C(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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