1-(4-iodophenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-iodophenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-iodophenyl)-5-methyl-triazole-4-carboxylic acid CAS Name: 1-(4-iodophenyl)-5-methyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-iodophenyl)-5-methyltriazole-4-carboxylic acid Traditional Name: 1-(4-iodophenyl)-5-methyl-triazole-4-carboxylic acid Formula: C10H8IN3O2 MolecularWeight: 329.09389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=C(C=C2)I)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC=C(C=C2)I)C(=O)O

InChI

InChI=1S/C10H8IN3O2/c1-6-9(10(15)16)12-13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)