1-(oxan-4-yl)benzotriazole-5-carboxylic acid

Systemtic Name: 1-(oxan-4-yl)benzotriazole-5-carboxylic acid Openeye Name: 1-tetrahydropyran-4-ylbenzotriazole-5-carboxylic acid CAS Name: 1-(4-oxanyl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(oxan-4-yl)benzotriazole-5-carboxylic acid Traditional Name: 1-tetrahydropyran-4-ylbenzotriazole-5-carboxylic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1N2C3=C(C=C(C=C3)C(=O)O)N=N2

Isomeric SMILES

C1COCCC1N2C3=C(C=C(C=C3)C(=O)O)N=N2

InChI

InChI=1S/C12H13N3O3/c16-12(17)8-1-2-11-10(7-8)13-14-15(11)9-3-5-18-6-4-9/h1-2,7,9H,3-6H2,(H,16,17)