5-ethyl-1-(3-fluoranyl-4-methoxy-phenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-ethyl-1-(3-fluoranyl-4-methoxy-phenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-ethyl-1-(3-fluoro-4-methoxy-phenyl)triazole-4-carboxylic acid CAS Name: 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-triazolecarboxylic acid IUPAC Name: 5-ethyl-1-(3-fluoro-4-methoxyphenyl)triazole-4-carboxylic acid Traditional Name: 5-ethyl-1-(3-fluoro-4-methoxy-phenyl)triazole-4-carboxylic acid Formula: C12H12FN3O3 MolecularWeight: 265.240383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12FN3O3/c1-3-9-11(12(17)18)14-15-16(9)7-4-5-10(19-2)8(13)6-7/h4-6H,3H2,1-2H3,(H,17,18)