diethyl 5-(cyanomethylamino)-1-cyclopropyl-7,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 5-(cyanomethylamino)-1-cyclopropyl-7,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3,6-dicarboxylate Openeye Name: diethyl 5-(cyanomethylamino)-1-cyclopropyl-7,8-difluoro-4-oxo-quinoline-3,6-dicarboxylate CAS Name: 5-(cyanomethylamino)-1-cyclopropyl-7,8-difluoro-4-oxoquinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(cyanomethylamino)-1-cyclopropyl-7,8-difluoro-4-oxoquinoline-3,6-dicarboxylate Traditional Name: 5-(cyanomethylamino)-1-cyclopropyl-7,8-difluoro-4-keto-quinoline-3,6-dicarboxylic acid diethyl ester Formula: C20H19F2N3O5 MolecularWeight: 419.378766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)F)C(=O)OCC)NCC#N)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C(=C(C(=C2F)F)C(=O)OCC)NCC#N)C3CC3

InChI

InChI=1S/C20H19F2N3O5/c1-3-29-19(27)11-9-25(10-5-6-10)17-13(18(11)26)16(24-8-7-23)12(14(21)15(17)22)20(28)30-4-2/h9-10,24H,3-6,8H2,1-2H3