[(1R)-1-(3-nitrophenyl)ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-14(17-3-2-4-19(13-17)24(27)28)29-21(26)16-9-11-23(12-10-16)20(25)15-5-7-18(22)8-6-15/h2-8,13-14,16H,9-12H2,1H3/t14-/m1/s1