(3-oxidanylidenecyclohexen-1-yl) 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate Openeye Name: (3-oxocyclohexen-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 (3-oxo-1-cyclohexenyl) ester IUPAC Name: (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-ketocyclohexen-1-yl) ester Formula: C16H12F3N3O3 MolecularWeight: 351.27999

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)C(F)(F)F

Isomeric SMILES

C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)N3C=NC=N3)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3/c17-16(18,19)14-6-10(22-9-20-8-21-22)4-5-13(14)15(24)25-12-3-1-2-11(23)7-12/h4-9H,1-3H2