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

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-28-21(25)19(15-8-4-2-5-9-15)29-20(24)16-10-11-17(18(14-16)23(26)27)22-12-6-3-7-13-22/h2,4-5,8-11,14,19H,3,6-7,12-13H2,1H3/t19-/m1/s1