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

Systemtic Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6,8-bis(fluoranyl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-7-isoindolin-5-yl-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6,8-difluoro-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6,8-difluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-7-isoindolin-5-yl-4-keto-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C21H16F2N2O4 MolecularWeight: 398.359546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CO1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)C4=CC5=C(CNC5)C=C4)F)C(=O)O

Isomeric SMILES

C1C(CO1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)C4=CC5=C(CNC5)C=C4)F)C(=O)O

InChI

InChI=1S/C21H16F2N2O4/c22-16-4-14-19(25(13-8-29-9-13)7-15(20(14)26)21(27)28)18(23)17(16)10-1-2-11-5-24-6-12(11)3-10/h1-4,7,13,24H,5-6,8-9H2,(H,27,28)