5-tert-butyl-1-(2-chlorophenyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(2-chlorophenyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-tert-butyl-1-(2-chlorophenyl)triazole-4-carboxylic acid CAS Name: 5-tert-butyl-1-(2-chlorophenyl)-4-triazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-(2-chlorophenyl)triazole-4-carboxylic acid Traditional Name: 5-tert-butyl-1-(2-chlorophenyl)triazole-4-carboxylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=NN1C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(N=NN1C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C13H14ClN3O2/c1-13(2,3)11-10(12(18)19)15-16-17(11)9-7-5-4-6-8(9)14/h4-7H,1-3H3,(H,18,19)