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

Systemtic Name: 4-fluoranyl-5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]carbonyl-cyclohexane-1,3-dione Openeye Name: 4-fluoro-5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione CAS Name: 4-fluoro-5,5-dimethyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 4-fluoro-5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione Traditional Name: 4-fluoro-5,5-dimethyl-2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-quinone Formula: C16H13F4NO5 MolecularWeight: 375.271733

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1F)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1F)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C16H13F4NO5/c1-15(2)6-10(22)11(13(24)14(15)17)12(23)8-4-3-7(16(18,19)20)5-9(8)21(25)26/h3-5,11,14H,6H2,1-2H3