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

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[2-(hydroxymethyl)-4-methyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(4-methyl-2-methylol-piperazino)quinoline-3-carboxylic acid Formula: C18H21F2N3O4 MolecularWeight: 381.373846

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3CO)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCN(CC3CO)C)F)C(=O)O

InChI

InChI=1S/C18H21F2N3O4/c1-3-22-8-12(18(26)27)17(25)11-6-13(19)16(14(20)15(11)22)23-5-4-21(2)7-10(23)9-24/h6,8,10,24H,3-5,7,9H2,1-2H3,(H,26,27)