3-(5-azanylbenzotriazol-2-yl)benzoic acid

Systemtic Name: 3-(5-azanylbenzotriazol-2-yl)benzoic acid Openeye Name: 3-(5-aminobenzotriazol-2-yl)benzoic acid CAS Name: 3-(5-amino-2-benzotriazolyl)benzoic acid IUPAC Name: 3-(5-aminobenzotriazol-2-yl)benzoic acid Traditional Name: 3-(5-aminobenzotriazol-2-yl)benzoic acid Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2N=C3C=CC(=CC3=N2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2N=C3C=CC(=CC3=N2)N)C(=O)O

InChI

InChI=1S/C13H10N4O2/c14-9-4-5-11-12(7-9)16-17(15-11)10-3-1-2-8(6-10)13(18)19/h1-7H,14H2,(H,18,19)