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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(p-tolyl)ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroxyimino-2-(4-methylphenyl)ethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-7-[4-[(2E)-2-hydroximino-2-(p-tolyl)ethyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C25H27FN4O4 MolecularWeight: 466.504683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=NO)C4=CC=C(C=C4)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C/C(=N/O)/C4=CC=C(C=C4)C)F)C(=O)O

InChI

InChI=1S/C25H27FN4O4/c1-3-29-14-19(25(32)33)24(31)18-12-20(26)23(13-22(18)29)30-10-8-28(9-11-30)15-21(27-34)17-6-4-16(2)5-7-17/h4-7,12-14,34H,3,8-11,15H2,1-2H3,(H,32,33)/b27-21-