8-chloranyl-6-fluoranyl-1-(2-fluoranylethyl)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-6-fluoranyl-1-(2-fluoranylethyl)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-7-(2-methylisoindolin-5-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-7-(2-methyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-6-fluoro-1-(2-fluoroethyl)-4-keto-7-(2-methylisoindolin-5-yl)quinoline-3-carboxylic acid Formula: C21H17ClF2N2O3 MolecularWeight: 418.821086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C1)C=C(C=C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)CCF)F

Isomeric SMILES

CN1CC2=C(C1)C=C(C=C2)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)CCF)F

InChI

InChI=1S/C21H17ClF2N2O3/c1-25-8-12-3-2-11(6-13(12)9-25)17-16(24)7-14-19(18(17)22)26(5-4-23)10-15(20(14)27)21(28)29/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,28,29)