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

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[2-(hydroxymethyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6,8-difluoro-7-[2-(hydroxymethyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6,8-difluoro-7-[2-(hydroxymethyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6,8-difluoro-7-[2-(hydroxymethyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-(2-methylolpiperazino)quinoline-3-carboxylic acid Formula: C17H19F2N3O4 MolecularWeight: 367.347266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3CO)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CCNCC3CO)F)C(=O)O

InChI

InChI=1S/C17H19F2N3O4/c1-2-21-7-11(17(25)26)16(24)10-5-12(18)15(13(19)14(10)21)22-4-3-20-6-9(22)8-23/h5,7,9,20,23H,2-4,6,8H2,1H3,(H,25,26)