methyl 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate Openeye Name: methyl 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)-2-(trifluoromethyl)benzoic acid methyl ester Formula: C11H8F3N3O2 MolecularWeight: 271.19533

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)N2C=NC=N2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)N2C=NC=N2)C(F)(F)F

InChI

InChI=1S/C11H8F3N3O2/c1-19-10(18)8-3-2-7(17-6-15-5-16-17)4-9(8)11(12,13)14/h2-6H,1H3