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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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