diethyl 2-acetamido-2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl]malonic acid diethyl ester Formula: C16H18ClF3N2O5 MolecularWeight: 410.77273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=C(C=N1)C(F)(F)F)Cl)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=C(C=N1)C(F)(F)F)Cl)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C16H18ClF3N2O5/c1-4-26-13(24)15(22-9(3)23,14(25)27-5-2)7-12-11(17)6-10(8-21-12)16(18,19)20/h6,8H,4-5,7H2,1-3H3,(H,22,23)