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

Systemtic Name: 1-(4-acetyloxyphenyl)-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-acetoxyphenyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-acetyloxyphenyl)-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-acetyloxyphenyl)-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-acetoxyphenyl)-6,8-difluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C23H21F2N3O5 MolecularWeight: 457.426746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(CC4)C)F)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCN(CC4)C)F)C(=O)O

InChI

InChI=1S/C23H21F2N3O5/c1-13(29)33-15-5-3-14(4-6-15)28-12-17(23(31)32)22(30)16-11-18(24)21(19(25)20(16)28)27-9-7-26(2)8-10-27/h3-6,11-12H,7-10H2,1-2H3,(H,31,32)