5-ethyl-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid CAS Name: 5-ethyl-1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Formula: C12H10F3N3O2 MolecularWeight: 285.22191

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H10F3N3O2/c1-2-8-10(11(19)20)16-17-18(8)9-6-4-3-5-7(9)12(13,14)15/h3-6H,2H2,1H3,(H,19,20)