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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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