2-azanyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-amino-6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-amino-6,8-difluoro-7-(4-methyl-1-piperazinyl)-1-(3-oxetanyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-amino-6,8-difluoro-7-(4-methylpiperazin-1-yl)-1-(oxetan-3-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-amino-6,8-difluoro-4-keto-7-(4-methylpiperazino)-1-(oxetan-3-yl)quinoline-3-carboxylic acid Formula: C18H20F2N4O4 MolecularWeight: 394.372606

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C(=C(C3=O)C(=O)O)N)C4COC4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C(=C(C3=O)C(=O)O)N)C4COC4)F

InChI

InChI=1S/C18H20F2N4O4/c1-22-2-4-23(5-3-22)15-11(19)6-10-14(13(15)20)24(9-7-28-8-9)17(21)12(16(10)25)18(26)27/h6,9H,2-5,7-8,21H2,1H3,(H,26,27)