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

Systemtic Name: 1-[2-(4-chloranyl-2-methyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(4-chloro-2-methyl-phenoxy)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(4-chloro-2-methylphenoxy)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(4-chloro-2-methylphenoxy)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(4-chloro-2-methyl-phenoxy)ethyl]triazole-4-carboxylic acid Formula: C12H12ClN3O3 MolecularWeight: 281.69498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClN3O3/c1-8-6-9(13)2-3-11(8)19-5-4-16-7-10(12(17)18)14-15-16/h2-3,6-7H,4-5H2,1H3,(H,17,18)