1-(4-chloranyl-2-methyl-phenyl)-5-ethyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-chloro-2-methyl-phenyl)-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-(4-chloro-2-methylphenyl)-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-chloro-2-methylphenyl)-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-(4-chloro-2-methyl-phenyl)-5-ethyl-triazole-4-carboxylic acid Formula: C12H12ClN3O2 MolecularWeight: 265.69558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O2/c1-3-9-11(12(17)18)14-15-16(9)10-5-4-8(13)6-7(10)2/h4-6H,3H2,1-2H3,(H,17,18)