[(1R)-1-(2-chlorophenyl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester IUPAC Name: [(1R)-1-(2-chlorophenyl)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(1R)-1-(2-chlorophenyl)ethyl] ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Cl)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O4/c1-14(16-7-3-4-8-17(16)21)27-20(24)15-9-10-18(19(13-15)23(25)26)22-11-5-2-6-12-22/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/t14-/m1/s1