7-(5-bromanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(5-bromanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(5-bromoisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(5-bromo-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(5-bromo-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(5-bromoisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H15BrF2N2O3 MolecularWeight: 461.256206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC5=C(C4)C=C(C=C5)Br)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CC5=C(C4)C=C(C=C5)Br)F)C(=O)O

InChI

InChI=1S/C21H15BrF2N2O3/c22-12-2-1-10-7-25(8-11(10)5-12)19-16(23)6-14-18(17(19)24)26(13-3-4-13)9-15(20(14)27)21(28)29/h1-2,5-6,9,13H,3-4,7-8H2,(H,28,29)