[(3S)-2-oxidanylideneoxolan-3-yl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C17H17F3N2O6 MolecularWeight: 402.32189

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2CCOC2=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N2O6/c18-17(19,20)11-1-2-12(13(9-11)22(25)26)21-6-3-10(4-7-21)15(23)28-14-5-8-27-16(14)24/h1-2,9-10,14H,3-8H2/t14-/m0/s1