8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-ethyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-(difluoromethoxy)-1-ethyl-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H20F3N3O4 MolecularWeight: 399.36431

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCNC(C3)C)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)OC(F)F)N3CCNC(C3)C)F)C(=O)O

InChI

InChI=1S/C18H20F3N3O4/c1-3-23-8-11(17(26)27)15(25)10-6-12(19)14(16(13(10)23)28-18(20)21)24-5-4-22-9(2)7-24/h6,8-9,18,22H,3-5,7H2,1-2H3,(H,26,27)