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

Systemtic Name: 5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-7-(5-fluoranyl-1,3-dihydroisoindol-2-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(5-fluoroisoindolin-2-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(5-fluoro-1,3-dihydroisoindol-2-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(5-fluoro-1,3-dihydroisoindol-2-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6,8-difluoro-7-(5-fluoroisoindolin-2-yl)-4-keto-quinoline-3-carboxylic acid Formula: C21H16F3N3O3 MolecularWeight: 415.36525

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CC5=C(C4)C=C(C=C5)F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CC5=C(C4)C=C(C=C5)F)F)C(=O)O

InChI

InChI=1S/C21H16F3N3O3/c22-11-2-1-9-6-26(7-10(9)5-11)19-15(23)17(25)14-18(16(19)24)27(12-3-4-12)8-13(20(14)28)21(29)30/h1-2,5,8,12H,3-4,6-7,25H2,(H,29,30)