(5-methyl-2-oxidanylidene-oxolan-3-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (2-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C18H19F3N2O6 MolecularWeight: 416.34847

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H19F3N2O6/c1-10-8-15(17(25)28-10)29-16(24)11-4-6-22(7-5-11)13-3-2-12(18(19,20)21)9-14(13)23(26)27/h2-3,9-11,15H,4-8H2,1H3