6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-7-pyridin-4-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-(4-pyridyl)quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-pyridin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-4-keto-7-(4-pyridyl)quinoline-3-carboxylic acid Formula: C17H11F3N2O3 MolecularWeight: 348.27605

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

Isomeric SMILES

C1=CN=CC=C1C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F

InChI

InChI=1S/C17H11F3N2O3/c18-3-6-22-8-11(17(24)25)16(23)10-7-12(19)13(14(20)15(10)22)9-1-4-21-5-2-9/h1-2,4-5,7-8H,3,6H2,(H,24,25)