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

Systemtic Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid CAS Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Traditional Name: 5-propyl-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Formula: C13H12F3N3O2 MolecularWeight: 299.24849

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

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