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

Systemtic Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-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-fluoro-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-7-isoindolin-5-yl-4-keto-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C21H17FN2O4 MolecularWeight: 380.369083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN2O4/c22-18-4-16-19(5-15(18)11-1-2-12-6-23-7-13(12)3-11)24(14-9-28-10-14)8-17(20(16)25)21(26)27/h1-5,8,14,23H,6-7,9-10H2,(H,26,27)