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

Systemtic Name: 1-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-methylbenzimidazol-1-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(2-methyl-1-benzimidazolyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-methylbenzimidazol-1-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(2-methylbenzimidazol-1-yl)ethyl]triazole-4-carboxylic acid Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCN3C=C(N=N3)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCN3C=C(N=N3)C(=O)O

InChI

InChI=1S/C13H13N5O2/c1-9-14-10-4-2-3-5-12(10)18(9)7-6-17-8-11(13(19)20)15-16-17/h2-5,8H,6-7H2,1H3,(H,19,20)