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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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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)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-23(2)18-12-11-17(15-19(18)25(28)29)22(27)30-20(16-9-5-3-6-10-16)21(26)24-13-7-4-8-14-24/h3,5-6,9-12,15,20H,4,7-8,13-14H2,1-2H3/t20-/m1/s1