6,7-bis(fluoranyl)-1-(2-methyl-1,2,4-triazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,7-bis(fluoranyl)-1-(2-methyl-1,2,4-triazol-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,7-difluoro-1-(2-methyl-1,2,4-triazol-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,7-difluoro-1-(2-methyl-1,2,4-triazol-3-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,7-difluoro-1-(2-methyl-1,2,4-triazol-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,7-difluoro-4-keto-1-(2-methyl-1,2,4-triazol-3-yl)quinoline-3-carboxylic acid Formula: C13H8F2N4O3 MolecularWeight: 306.224426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O

Isomeric SMILES

CN1C(=NC=N1)N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O

InChI

InChI=1S/C13H8F2N4O3/c1-18-13(16-5-17-18)19-4-7(12(21)22)11(20)6-2-8(14)9(15)3-10(6)19/h2-5H,1H3,(H,21,22)