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

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl] 2-methyl-3-nitro-benzoate Openeye Name: [(1R)-2-oxo-1-phenyl-2-(1-piperidyl)ethyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [(1R)-2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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