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

Systemtic Name: 1-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(4-chloro-2,6-dimethyl-phenoxy)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(4-chloro-2,6-dimethyl-phenoxy)ethyl]triazole-4-carboxylate Formula: C13H13ClN3O3- MolecularWeight: 294.71362

Click to see the large picture

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)/p-1