6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-[3-methyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]azetidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-[3-methyl-3-[2,2,2-tris(fluoranyl)ethanoylamino]azetidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-7-[3-methyl-3-[(2,2,2-trifluoroacetyl)amino]azetidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-7-[3-methyl-3-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-azetidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-7-[3-methyl-3-[(2,2,2-trifluoroacetyl)amino]azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-4-keto-7-[3-methyl-3-[(2,2,2-trifluoroacetyl)amino]azetidin-1-yl]quinoline-3-carboxylic acid Formula: C18H15F6N3O4 MolecularWeight: 451.319819

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F)NC(=O)C(F)(F)F

Isomeric SMILES

CC1(CN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F)NC(=O)C(F)(F)F

InChI

InChI=1S/C18H15F6N3O4/c1-17(25-16(31)18(22,23)24)6-27(7-17)13-10(20)4-8-12(11(13)21)26(3-2-19)5-9(14(8)28)15(29)30/h4-5H,2-3,6-7H2,1H3,(H,25,31)(H,29,30)