diethyl 2-acetamido-2-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[4-azanyl-3-chloranyl-5-(trifluoromethyl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[4-amino-3-chloro-5-(trifluoromethyl)benzyl]malonic acid diethyl ester Formula: C17H20ClF3N2O5 MolecularWeight: 424.79931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)Cl)N)C(F)(F)F)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)Cl)N)C(F)(F)F)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C17H20ClF3N2O5/c1-4-27-14(25)16(23-9(3)24,15(26)28-5-2)8-10-6-11(17(19,20)21)13(22)12(18)7-10/h6-7H,4-5,8,22H2,1-3H3,(H,23,24)