3-(5-azanyl-6-chloranyl-benzotriazol-2-yl)benzoic acid

Systemtic Name: 3-(5-azanyl-6-chloranyl-benzotriazol-2-yl)benzoic acid Openeye Name: 3-(5-amino-6-chloro-benzotriazol-2-yl)benzoic acid CAS Name: 3-(5-amino-6-chloro-2-benzotriazolyl)benzoic acid IUPAC Name: 3-(5-amino-6-chlorobenzotriazol-2-yl)benzoic acid Traditional Name: 3-(5-amino-6-chloro-benzotriazol-2-yl)benzoic acid Formula: C13H9ClN4O2 MolecularWeight: 288.68916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9ClN4O2/c14-9-5-11-12(6-10(9)15)17-18(16-11)8-3-1-2-7(4-8)13(19)20/h1-6H,15H2,(H,19,20)