1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-7-[4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-azanyl-2-fluoranyl-phenyl)-6-fluoranyl-7-[4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(4-amino-2-fluoro-phenyl)-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(4-amino-2-fluorophenyl)-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(4-amino-2-fluorophenyl)-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(4-amino-2-fluoro-phenyl)-6-fluoro-7-[4-[(2E)-2-hydroximino-2-(4-methoxyphenyl)ethyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C29H27F2N5O5 MolecularWeight: 563.551986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=NO)CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)N)F)F

Isomeric SMILES

COC1=CC=C(C=C1)/C(=N\O)/CN2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5=C(C=C(C=C5)N)F)F

InChI

InChI=1S/C29H27F2N5O5/c1-41-19-5-2-17(3-6-19)24(33-40)16-34-8-10-35(11-9-34)27-14-26-20(13-23(27)31)28(37)21(29(38)39)15-36(26)25-7-4-18(32)12-22(25)30/h2-7,12-15,40H,8-11,16,32H2,1H3,(H,38,39)/b33-24-