5-(benzotriazol-1-yl)-2H-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-(benzotriazol-1-yl)-2H-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(benzotriazol-1-yl)-2H-triazole-4-carboxylic acid CAS Name: 5-(1-benzotriazolyl)-2H-triazole-4-carboxylic acid IUPAC Name: 5-(benzotriazol-1-yl)-2H-triazole-4-carboxylic acid Traditional Name: 5-(benzotriazol-1-yl)-2H-triazole-4-carboxylic acid Formula: C9H6N6O2 MolecularWeight: 230.18294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=NNN=C3C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=NNN=C3C(=O)O

InChI

InChI=1S/C9H6N6O2/c16-9(17)7-8(12-13-11-7)15-6-4-2-1-3-5(6)10-14-15/h1-4H,(H,16,17)(H,11,12,13)