1-(2-chloranyl-4,6-dimethyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=C(C=C(C=C2Cl)C)C)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1C2=C(C=C(C=C2Cl)C)C)C(=O)O

InChI

InChI=1S/C13H14ClN3O2/c1-4-10-15-12(13(18)19)16-17(10)11-8(3)5-7(2)6-9(11)14/h5-6H,4H2,1-3H3,(H,18,19)