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

Systemtic Name: 5-azanyl-7-(4-chloranyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(4-chloroisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(4-chloro-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(4-chloro-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(4-chloroisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H16ClF2N3O3 MolecularWeight: 431.819846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClF2N3O3/c22-13-3-1-2-9-6-26(7-11(9)13)19-15(23)17(25)14-18(16(19)24)27(10-4-5-10)8-12(20(14)28)21(29)30/h1-3,8,10H,4-7,25H2,(H,29,30)