3-(benzotriazol-1-ylmethyl)benzoic acid

Systemtic Name: 3-(benzotriazol-1-ylmethyl)benzoic acid Openeye Name: 3-(benzotriazol-1-ylmethyl)benzoic acid CAS Name: 3-(1-benzotriazolylmethyl)benzoic acid IUPAC Name: 3-(benzotriazol-1-ylmethyl)benzoic acid Traditional Name: 3-(benzotriazol-1-ylmethyl)benzoic acid Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C14H11N3O2/c18-14(19)11-5-3-4-10(8-11)9-17-13-7-2-1-6-12(13)15-16-17/h1-8H,9H2,(H,18,19)