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

Systemtic Name: diethyl 2-[[[3-ethoxycarbonyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-quinolin-1-yl]-methyl-amino]methyl]propanedioate Openeye Name: diethyl 2-[[(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxo-1-quinolyl)-methyl-amino]methyl]propanedioate CAS Name: 2-[[(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxo-1-quinolinyl)-methylamino]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(3-ethoxycarbonyl-6,7,8-trifluoro-4-oxoquinolin-1-yl)-methylamino]methyl]propanedioate Traditional Name: 2-[[(3-carbethoxy-6,7,8-trifluoro-4-keto-1-quinolyl)-methyl-amino]methyl]malonic acid diethyl ester Formula: C21H23F3N2O7 MolecularWeight: 472.41173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2O7/c1-5-31-19(28)12-10-26(17-11(18(12)27)8-14(22)15(23)16(17)24)25(4)9-13(20(29)32-6-2)21(30)33-7-3/h8,10,13H,5-7,9H2,1-4H3