methyl (3S,4R,5R)-4-(4-fluorophenyl)-5-nitro-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: methyl (3S,4R,5R)-4-(4-fluorophenyl)-5-nitro-2-oxidanylidene-1-(phenylmethyl)piperidine-3-carboxylate Openeye Name: methyl (3S,4R,5R)-1-benzyl-4-(4-fluorophenyl)-5-nitro-2-oxo-piperidine-3-carboxylate CAS Name: (3S,4R,5R)-4-(4-fluorophenyl)-5-nitro-2-oxo-1-(phenylmethyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R,5R)-1-benzyl-4-(4-fluorophenyl)-5-nitro-2-oxopiperidine-3-carboxylate Traditional Name: (3S,4R,5R)-1-benzyl-4-(4-fluorophenyl)-2-keto-5-nitro-nipecotic acid methyl ester Formula: C20H19FN2O5 MolecularWeight: 386.373663

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(CN(C1=O)CC2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)[C@H]1[C@@H]([C@H](CN(C1=O)CC2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2O5/c1-28-20(25)18-17(14-7-9-15(21)10-8-14)16(23(26)27)12-22(19(18)24)11-13-5-3-2-4-6-13/h2-10,16-18H,11-12H2,1H3/t16-,17+,18-/m0/s1