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

Systemtic Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-7-isoindolin-5-yl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(2,3-dihydro-1H-isoindol-5-yl)-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-7-isoindolin-5-yl-4-keto-quinoline-3-carboxylic acid Formula: C20H15F3N2O3 MolecularWeight: 388.33991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)CCF)F

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)CCF)F

InChI

InChI=1S/C20H15F3N2O3/c21-3-4-25-9-14(20(27)28)19(26)13-6-15(22)16(17(23)18(13)25)10-1-2-11-7-24-8-12(11)5-10/h1-2,5-6,9,24H,3-4,7-8H2,(H,27,28)