1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-8-methoxy-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methoxy-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-8-methoxy-7-piperazino-quinoline-3-carboxylic acid Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=C(C=C(C=C4)F)F)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1N3CCNCC3)F)C(=O)C(=CN2C4=C(C=C(C=C4)F)F)C(=O)O

InChI

InChI=1S/C21H18F3N3O4/c1-31-20-17-12(9-15(24)18(20)26-6-4-25-5-7-26)19(28)13(21(29)30)10-27(17)16-3-2-11(22)8-14(16)23/h2-3,8-10,25H,4-7H2,1H3,(H,29,30)