1-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(4-chloro-2,6-dimethyl-phenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(4-chloro-2,6-dimethyl-phenoxy)ethyl]triazole-4-carboxylic acid Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCN2C=C(N=N2)C(=O)O)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCCN2C=C(N=N2)C(=O)O)C)Cl

InChI

InChI=1S/C13H14ClN3O3/c1-8-5-10(14)6-9(2)12(8)20-4-3-17-7-11(13(18)19)15-16-17/h5-7H,3-4H2,1-2H3,(H,18,19)