2-(3-isoquinolin-5-yl-1,2,3-triazol-4-yl)ethanoic acid

Systemtic Name: 2-(3-isoquinolin-5-yl-1,2,3-triazol-4-yl)ethanoic acid Openeye Name: 2-[3-(5-isoquinolyl)triazol-4-yl]acetic acid CAS Name: 2-[3-(5-isoquinolinyl)-4-triazolyl]acetic acid IUPAC Name: 2-(3-isoquinolin-5-yltriazol-4-yl)acetic acid Traditional Name: 2-[3-(5-isoquinolyl)triazol-4-yl]acetic acid Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4O2/c18-13(19)6-10-8-15-16-17(10)12-3-1-2-9-7-14-5-4-11(9)12/h1-5,7-8H,6H2,(H,18,19)