2,2-dimethylpropanoyloxymethyl 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-acetamido-2,4,6-tris(iodanyl)-5-(methylcarbamoyl)benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate CAS Name: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate Traditional Name: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid pivaloyloxymethyl ester Formula: C17H19I3N2O6 MolecularWeight: 728.05597

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCOC(=O)C(C)(C)C)I)C(=O)NC)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCOC(=O)C(C)(C)C)I)C(=O)NC)I

InChI

InChI=1S/C17H19I3N2O6/c1-7(23)22-13-11(19)8(14(24)21-5)10(18)9(12(13)20)15(25)27-6-28-16(26)17(2,3)4/h6H2,1-5H3,(H,21,24)(H,22,23)