6,8-bis(fluoranyl)-1-(2-hydroxyethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-hydroxyethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-hydroxyethyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-hydroxyethyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-hydroxyethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-hydroxyethyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C16H17F2N3O4 MolecularWeight: 353.320686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCO)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCO)F

InChI

InChI=1S/C16H17F2N3O4/c17-11-7-9-13(12(18)14(11)20-3-1-19-2-4-20)21(5-6-22)8-10(15(9)23)16(24)25/h7-8,19,22H,1-6H2,(H,24,25)