1-ethyl-6,8-bis(fluoranyl)-7-[4-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[4-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-[4-(hydroxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-[4-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[4-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(4-methylolpiperazino)quinoline-3-carboxylic acid Formula: C17H19F2N3O4 MolecularWeight: 367.347266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19F2N3O4/c1-2-21-8-11(17(25)26)16(24)10-7-12(18)15(13(19)14(10)21)22-5-3-20(9-23)4-6-22/h7-8,23H,2-6,9H2,1H3,(H,25,26)