6-fluoranyl-4-oxidanylidene-1-(2-oxidanylidenecyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-4-oxidanylidene-1-(2-oxidanylidenecyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-4-oxo-1-(2-oxocyclopropyl)-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-4-oxo-1-(2-oxocyclopropyl)-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-4-oxo-1-(2-oxocyclopropyl)-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(2-ketocyclopropyl)-7-piperazino-quinoline-3-carboxylic acid Formula: C17H16FN3O4 MolecularWeight: 345.325043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4=O)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4=O)F

InChI

InChI=1S/C17H16FN3O4/c18-11-5-9-12(6-13(11)20-3-1-19-2-4-20)21(14-7-15(14)22)8-10(16(9)23)17(24)25/h5-6,8,14,19H,1-4,7H2,(H,24,25)