1-ethyl-6,8-bis(fluoranyl)-5-oxidanyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-5-oxidanyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-5-hydroxy-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-5-hydroxy-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-5-hydroxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-5-hydroxy-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C16H17F2N3O4 MolecularWeight: 353.320686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C(=C2O)F)N3CCNCC3)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C(=C2O)F)N3CCNCC3)F)C(=O)O

InChI

InChI=1S/C16H17F2N3O4/c1-2-20-7-8(16(24)25)14(22)9-12(20)10(17)13(11(18)15(9)23)21-5-3-19-4-6-21/h7,19,23H,2-6H2,1H3,(H,24,25)