diethyl 2-[[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]methylidene]propanedioate Openeye Name: diethyl 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]methylene]propanedioate CAS Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]methylidene]propanedioate Traditional Name: 2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]methylene]malonic acid diethyl ester Formula: C16H19ClF3N3O4 MolecularWeight: 409.78797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNCCNC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNCCNC1=C(C=C(C=N1)C(F)(F)F)Cl)C(=O)OCC

InChI

InChI=1S/C16H19ClF3N3O4/c1-3-26-14(24)11(15(25)27-4-2)9-21-5-6-22-13-12(17)7-10(8-23-13)16(18,19)20/h7-9,21H,3-6H2,1-2H3,(H,22,23)