diethyl 2-[1-cyclopropyl-3-ethoxycarbonyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinolin-7-yl]propanedioate

Systemtic Name: diethyl 2-[1-cyclopropyl-3-ethoxycarbonyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinolin-7-yl]propanedioate Openeye Name: diethyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6,8-difluoro-4-oxo-7-quinolyl)propanedioate CAS Name: 2-(1-cyclopropyl-3-ethoxycarbonyl-6,8-difluoro-4-oxo-7-quinolinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6,8-difluoro-4-oxoquinolin-7-yl)propanedioate Traditional Name: 2-(3-carbethoxy-1-cyclopropyl-6,8-difluoro-4-keto-7-quinolyl)malonic acid diethyl ester Formula: C22H23F2NO7 MolecularWeight: 451.417326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C(=O)OCC)C(=O)OCC)F)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C(C(=O)OCC)C(=O)OCC)F)C3CC3

InChI

InChI=1S/C22H23F2NO7/c1-4-30-20(27)13-10-25(11-7-8-11)18-12(19(13)26)9-14(23)15(17(18)24)16(21(28)31-5-2)22(29)32-6-3/h9-11,16H,4-8H2,1-3H3