5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-quinone Formula: C16H14F3NO5 MolecularWeight: 357.28127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H14F3NO5/c1-15(2)6-11(21)13(12(22)7-15)14(23)9-4-3-8(16(17,18)19)5-10(9)20(24)25/h3-5,13H,6-7H2,1-2H3