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

Systemtic Name: 1-isoquinolin-5-yl-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(5-isoquinolyl)-5-methyl-triazole-4-carboxylic acid CAS Name: 1-(5-isoquinolinyl)-5-methyl-4-triazolecarboxylic acid IUPAC Name: 1-isoquinolin-5-yl-5-methyltriazole-4-carboxylic acid Traditional Name: 1-(5-isoquinolyl)-5-methyl-triazole-4-carboxylic acid Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

Isomeric SMILES

CC1=C(N=NN1C2=CC=CC3=C2C=CN=C3)C(=O)O

InChI

InChI=1S/C13H10N4O2/c1-8-12(13(18)19)15-16-17(8)11-4-2-3-9-7-14-6-5-10(9)11/h2-7H,1H3,(H,18,19)