ethyl (3E)-2,5-dimethyl-5-nitro-2-oxidanyl-3-(phenylmethylidene)-6-(trifluoromethyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl (3E)-2,5-dimethyl-5-nitro-2-oxidanyl-3-(phenylmethylidene)-6-(trifluoromethyl)cyclohexane-1-carboxylate Openeye Name: ethyl (3E)-3-benzylidene-2-hydroxy-2,5-dimethyl-5-nitro-6-(trifluoromethyl)cyclohexanecarboxylate CAS Name: (3E)-2-hydroxy-2,5-dimethyl-5-nitro-3-(phenylmethylene)-6-(trifluoromethyl)-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (3E)-3-benzylidene-2-hydroxy-2,5-dimethyl-5-nitro-6-(trifluoromethyl)cyclohexane-1-carboxylate Traditional Name: (3E)-3-benzal-2-hydroxy-2,5-dimethyl-5-nitro-6-(trifluoromethyl)cyclohexanecarboxylic acid ethyl ester Formula: C19H22F3NO5 MolecularWeight: 401.37689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1C(C(C/C(=C\C2=CC=CC=C2)/C1(C)O)(C)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H22F3NO5/c1-4-28-16(24)14-15(19(20,21)22)17(2,23(26)27)11-13(18(14,3)25)10-12-8-6-5-7-9-12/h5-10,14-15,25H,4,11H2,1-3H3/b13-10+