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

Systemtic Name: [(2R)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(1R)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(1R)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5/c1-14(20(25)15-5-8-17(22)9-6-15)29-21(26)16-7-10-18(19(13-16)24(27)28)23-11-3-2-4-12-23/h5-10,13-14H,2-4,11-12H2,1H3/t14-/m1/s1