1-ethyl-7-fluoranyl-4-oxidanylidene-6-(3-oxidanylidenepiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-7-fluoranyl-4-oxidanylidene-6-(3-oxidanylidenepiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-7-fluoro-4-oxo-6-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-7-fluoro-4-oxo-6-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-7-fluoro-4-oxo-6-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-7-fluoro-4-keto-6-(3-ketopiperazino)quinoline-3-carboxylic acid Formula: C16H16FN3O4 MolecularWeight: 333.314343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16FN3O4/c1-2-19-7-10(16(23)24)15(22)9-5-13(11(17)6-12(9)19)20-4-3-18-14(21)8-20/h5-7H,2-4,8H2,1H3,(H,18,21)(H,23,24)