ethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate

Systemtic Name: ethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: ethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid ethyl ester IUPAC Name: ethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid ethyl ester Formula: C14H15I3N2O4 MolecularWeight: 655.99331

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C14H15I3N2O4/c1-5-23-14(22)8-9(15)12(18-6(2)20)11(17)13(10(8)16)19(4)7(3)21/h5H2,1-4H3,(H,18,20)