(5-methyl-3-oxidanylidene-cyclohexen-1-yl) 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate

Systemtic Name: (5-methyl-3-oxidanylidene-cyclohexen-1-yl) 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate Openeye Name: (5-methyl-3-oxo-cyclohexen-1-yl) 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid (5-methyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5-methyl-3-oxocyclohexen-1-yl) 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid (3-keto-5-methyl-cyclohexen-1-yl) ester Formula: C17H14F3N3O3 MolecularWeight: 365.30657

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)C(F)(F)F

Isomeric SMILES

CC1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O3/c1-10-4-12(24)7-13(5-10)26-16(25)14-3-2-11(23-9-21-8-22-23)6-15(14)17(18,19)20/h2-3,6-10H,4-5H2,1H3