ethyl 5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxylate CAS Name: 5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxylate Traditional Name: 5-methyl-1-[2-(trifluoromethyl)benzyl]triazole-4-carboxylic acid ethyl ester Formula: C14H14F3N3O2 MolecularWeight: 313.27507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2C(F)(F)F)C

InChI

InChI=1S/C14H14F3N3O2/c1-3-22-13(21)12-9(2)20(19-18-12)8-10-6-4-5-7-11(10)14(15,16)17/h4-7H,3,8H2,1-2H3