7-[2,6-bis(trifluoromethyl)pyridin-4-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2,6-bis(trifluoromethyl)pyridin-4-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2,6-bis(trifluoromethyl)-4-pyridyl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2,6-bis(trifluoromethyl)-4-pyridinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2,6-bis(trifluoromethyl)pyridin-4-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2,6-bis(trifluoromethyl)-4-pyridyl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H11F7N2O3 MolecularWeight: 460.301762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC(=NC(=C4)C(F)(F)F)C(F)(F)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC(=NC(=C4)C(F)(F)F)C(F)(F)F)F)C(=O)O

InChI

InChI=1S/C20H11F7N2O3/c21-13-5-11-14(29(9-1-2-9)7-12(17(11)30)18(31)32)6-10(13)8-3-15(19(22,23)24)28-16(4-8)20(25,26)27/h3-7,9H,1-2H2,(H,31,32)