1-[2,4-bis(fluoranyl)phenyl]-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-8-(fluoranylmethoxy)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-8-(fluoranylmethoxy)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-8-(fluoromethoxy)-7-isoindolin-5-yl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-(fluoromethoxy)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-8-(fluoromethoxy)-7-isoindolin-5-yl-4-keto-quinoline-3-carboxylic acid Formula: C25H16F4N2O4 MolecularWeight: 484.399153

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)C3=C(C=C4C(=C3OCF)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)C3=C(C=C4C(=C3OCF)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)F)F)F

InChI

InChI=1S/C25H16F4N2O4/c26-11-35-24-21(12-1-2-13-8-30-9-14(13)5-12)19(29)7-16-22(24)31(10-17(23(16)32)25(33)34)20-4-3-15(27)6-18(20)28/h1-7,10,30H,8-9,11H2,(H,33,34)