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

Systemtic Name: 7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-5-bromanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-5-bromo-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-5-bromo-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-5-bromo-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-5-bromo-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H18BrF2N3O3 MolecularWeight: 478.286726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3Br)F)N4CC5C=CC=CC5(C4)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3Br)F)N4CC5C=CC=CC5(C4)N)F)C(=O)O

InChI

InChI=1S/C21H18BrF2N3O3/c22-14-13-17(27(11-4-5-11)8-12(19(13)28)20(29)30)16(24)18(15(14)23)26-7-10-3-1-2-6-21(10,25)9-26/h1-3,6,8,10-11H,4-5,7,9,25H2,(H,29,30)