1-(5-azanyl-4-fluoranyl-2-methyl-phenyl)-6-fluoranyl-8-methyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-(5-azanyl-4-fluoranyl-2-methyl-phenyl)-6-fluoranyl-8-methyl-7-(3-oxidanylazetidin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(5-amino-4-fluoro-2-methyl-phenyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(5-amino-4-fluoro-2-methylphenyl)-6-fluoro-7-(3-hydroxy-1-azetidinyl)-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(5-amino-4-fluoro-2-methylphenyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(5-amino-4-fluoro-2-methyl-phenyl)-6-fluoro-7-(3-hydroxyazetidin-1-yl)-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H19F2N3O4 MolecularWeight: 415.390066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2C=C(C(=O)C3=CC(=C(C(=C32)C)N4CC(C4)O)F)C(=O)O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1N2C=C(C(=O)C3=CC(=C(C(=C32)C)N4CC(C4)O)F)C(=O)O)N)F

InChI

InChI=1S/C21H19F2N3O4/c1-9-3-14(22)16(24)5-17(9)26-8-13(21(29)30)20(28)12-4-15(23)19(10(2)18(12)26)25-6-11(27)7-25/h3-5,8,11,27H,6-7,24H2,1-2H3,(H,29,30)