1-isoquinolin-5-yl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-isoquinolin-5-yl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(5-isoquinolyl)triazole-4-carboxylic acid CAS Name: 1-(5-isoquinolinyl)-4-triazolecarboxylic acid IUPAC Name: 1-isoquinolin-5-yltriazole-4-carboxylic acid Traditional Name: 1-(5-isoquinolyl)triazole-4-carboxylic acid Formula: C12H8N4O2 MolecularWeight: 240.21752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)N3C=C(N=N3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)N3C=C(N=N3)C(=O)O

InChI

InChI=1S/C12H8N4O2/c17-12(18)10-7-16(15-14-10)11-3-1-2-8-6-13-5-4-9(8)11/h1-7H,(H,17,18)