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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethyl-triazole-4-carboxylic acid Formula: C12H9ClF3N3O2 MolecularWeight: 319.66697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=CC(=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H9ClF3N3O2/c1-2-9-10(11(20)21)17-18-19(9)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,2H2,1H3,(H,20,21)