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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[3-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[3-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(3-methylolpiperazino)quinoline-3-carboxylic acid Formula: C17H20FN3O4 MolecularWeight: 349.356803

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CO)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNC(C3)CO)F)C(=O)O

InChI

InChI=1S/C17H20FN3O4/c1-2-20-8-12(17(24)25)16(23)11-5-13(18)15(6-14(11)20)21-4-3-19-10(7-21)9-22/h5-6,8,10,19,22H,2-4,7,9H2,1H3,(H,24,25)