[3-(trifluoromethyl)phenyl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid [3-(trifluoromethyl)phenyl] ester Formula: C15H9F3N4O2 MolecularWeight: 334.25277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9F3N4O2/c16-15(17,18)11-2-1-3-12(6-11)24-14(23)10-4-5-13(20-7-10)22-9-19-8-21-22/h1-9H