1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-oxidanyl-4-oxidanylidene-butanoyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(4-oxidanyl-4-oxidanylidene-butanoyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(4-hydroxy-4-oxo-butanoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-(4-hydroxy-1,4-dioxobutyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-hydroxy-4-oxobutanoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-(4-hydroxy-4-keto-butanoyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C20H22FN3O6 MolecularWeight: 419.403583

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCC(=O)O)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)CCC(=O)O)F)C(=O)O

InChI

InChI=1S/C20H22FN3O6/c1-2-22-11-13(20(29)30)19(28)12-9-14(21)16(10-15(12)22)23-5-7-24(8-6-23)17(25)3-4-18(26)27/h9-11H,2-8H2,1H3,(H,26,27)(H,29,30)