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

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-oxidanylidenepiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-4-oxo-7-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-(3-oxo-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-(3-oxopiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(3-ketopiperazino)quinoline-3-carboxylic acid Formula: C16H15F2N3O4 MolecularWeight: 351.304806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15F2N3O4/c1-2-20-6-9(16(24)25)15(23)8-5-10(17)14(12(18)13(8)20)21-4-3-19-11(22)7-21/h5-6H,2-4,7H2,1H3,(H,19,22)(H,24,25)