3-piperidin-4-ylbenzotriazole-5-carboxylic acid

Systemtic Name: 3-piperidin-4-ylbenzotriazole-5-carboxylic acid Openeye Name: 3-(4-piperidyl)benzotriazole-5-carboxylic acid CAS Name: 3-(4-piperidinyl)-5-benzotriazolecarboxylic acid IUPAC Name: 3-piperidin-4-ylbenzotriazole-5-carboxylic acid Traditional Name: 3-(4-piperidyl)benzotriazole-5-carboxylic acid Formula: C12H14N4O2 MolecularWeight: 246.26516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2C3=C(C=CC(=C3)C(=O)O)N=N2

Isomeric SMILES

C1CNCCC1N2C3=C(C=CC(=C3)C(=O)O)N=N2

InChI

InChI=1S/C12H14N4O2/c17-12(18)8-1-2-10-11(7-8)16(15-14-10)9-3-5-13-6-4-9/h1-2,7,9,13H,3-6H2,(H,17,18)