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

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(benzotriazol-1-yl)ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-(1-benzotriazolyl)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(benzotriazol-1-yl)ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-(benzotriazol-1-yl)ethyl]triazole-4-carboxylic acid Formula: C11H10N6O2 MolecularWeight: 258.2361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CCN3C=C(N=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CCN3C=C(N=N3)C(=O)O

InChI

InChI=1S/C11H10N6O2/c18-11(19)9-7-16(14-13-9)5-6-17-10-4-2-1-3-8(10)12-15-17/h1-4,7H,5-6H2,(H,18,19)