(4-fluoranyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-nitro-4-(trifluoromethyl)benzoate

Systemtic Name: (4-fluoranyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-nitro-4-(trifluoromethyl)benzoate Openeye Name: (4-fluoro-5,5-dimethyl-3-oxo-cyclohexen-1-yl) 2-nitro-4-(trifluoromethyl)benzoate CAS Name: 2-nitro-4-(trifluoromethyl)benzoic acid (4-fluoro-5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (4-fluoro-5,5-dimethyl-3-oxocyclohexen-1-yl) 2-nitro-4-(trifluoromethyl)benzoate Traditional Name: 2-nitro-4-(trifluoromethyl)benzoic acid (4-fluoro-3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C16H13F4NO5 MolecularWeight: 375.271733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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