5-(benzotriazol-2-yl)cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 5-(benzotriazol-2-yl)cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 5-(benzotriazol-2-yl)cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 5-(2-benzotriazolyl)-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 5-(benzotriazol-2-yl)cyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 5-(benzotriazol-2-yl)cyclohexa-1,5-diene-1-carboxylic acid Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)C(=O)O)N2N=C3C=CC=CC3=N2

Isomeric SMILES

C1CC(=CC(=C1)C(=O)O)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C13H11N3O2/c17-13(18)9-4-3-5-10(8-9)16-14-11-6-1-2-7-12(11)15-16/h1-2,4,6-8H,3,5H2,(H,17,18)