1-[2-(3,4-dimethylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethylphenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(3,4-dimethylphenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(3,4-dimethylphenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethylphenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(3,4-dimethylphenoxy)ethyl]triazole-4-carboxylic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCN2C=C(N=N2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCN2C=C(N=N2)C(=O)O)C

InChI

InChI=1S/C13H15N3O3/c1-9-3-4-11(7-10(9)2)19-6-5-16-8-12(13(17)18)14-15-16/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)