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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [(1R)-2-keto-1-phenyl-2-piperidino-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5/c1-15-14-17(10-11-18(15)23(26)27)21(25)28-19(16-8-4-2-5-9-16)20(24)22-12-6-3-7-13-22/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3/t19-/m1/s1