2-(1,2,4-triazol-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(1,2,4-triazol-1-yl)quinoline-4-carboxylic acid Openeye Name: 2-(1,2,4-triazol-1-yl)quinoline-4-carboxylic acid CAS Name: 2-(1,2,4-triazol-1-yl)-4-quinolinecarboxylic acid IUPAC Name: 2-(1,2,4-triazol-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-(1,2,4-triazol-1-yl)cinchoninic acid Formula: C12H8N4O2 MolecularWeight: 240.21752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)N3C=NC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)N3C=NC=N3)C(=O)O

InChI

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