(3,3-dimethyl-2-oxidanylidene-butyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxylate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H23F3N2O5 MolecularWeight: 416.39153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H23F3N2O5/c1-18(2,3)16(25)11-29-17(26)12-6-8-23(9-7-12)14-5-4-13(19(20,21)22)10-15(14)24(27)28/h4-5,10,12H,6-9,11H2,1-3H3