2-(benzotriazol-1-yl)-4-bromanyl-benzoic acid

Systemtic Name: 2-(benzotriazol-1-yl)-4-bromanyl-benzoic acid Openeye Name: 2-(benzotriazol-1-yl)-4-bromo-benzoic acid CAS Name: 2-(1-benzotriazolyl)-4-bromobenzoic acid IUPAC Name: 2-(benzotriazol-1-yl)-4-bromobenzoic acid Traditional Name: 2-(benzotriazol-1-yl)-4-bromo-benzoic acid Formula: C13H8BrN3O2 MolecularWeight: 318.12552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C3=C(C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C3=C(C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C13H8BrN3O2/c14-8-5-6-9(13(18)19)12(7-8)17-11-4-2-1-3-10(11)15-16-17/h1-7H,(H,18,19)