ethyl 1-(phenylmethyl)-5-(trifluoromethyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-5-(trifluoromethyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-benzyl-5-(trifluoromethyl)triazole-4-carboxylate CAS Name: 1-(phenylmethyl)-5-(trifluoromethyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-(trifluoromethyl)triazole-4-carboxylate Traditional Name: 1-benzyl-5-(trifluoromethyl)triazole-4-carboxylic acid ethyl ester Formula: C13H12F3N3O2 MolecularWeight: 299.24849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H12F3N3O2/c1-2-21-12(20)10-11(13(14,15)16)19(18-17-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3