diethyl 2-acetamido-2-[[2-(2-bromoethyl)-5-iodanyl-phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[2-(2-bromoethyl)-5-iodanyl-phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[2-(2-bromoethyl)-5-iodo-phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(2-bromoethyl)-5-iodophenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[2-(2-bromoethyl)-5-iodophenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[2-(2-bromoethyl)-5-iodo-benzyl]malonic acid diethyl ester Formula: C18H23BrINO5 MolecularWeight: 540.18739

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)I)CCBr)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)I)CCBr)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H23BrINO5/c1-4-25-16(23)18(21-12(3)22,17(24)26-5-2)11-14-10-15(20)7-6-13(14)8-9-19/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,22)