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

Systemtic Name: 1-[2-(benzimidazol-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(benzimidazol-1-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(1-benzimidazolyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(benzimidazol-1-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(benzimidazol-1-yl)ethyl]triazole-4-carboxylic acid Formula: C12H11N5O2 MolecularWeight: 257.24804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CCN3C=C(N=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2CCN3C=C(N=N3)C(=O)O

InChI

InChI=1S/C12H11N5O2/c18-12(19)10-7-17(15-14-10)6-5-16-8-13-9-3-1-2-4-11(9)16/h1-4,7-8H,5-6H2,(H,18,19)