methylamino 3-acetamido-5-ethanoyl-2,4,6-tris(iodanyl)benzoate

Systemtic Name: methylamino 3-acetamido-5-ethanoyl-2,4,6-tris(iodanyl)benzoate Openeye Name: methylamino 3-acetamido-5-acetyl-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-acetyl-2,4,6-triiodobenzoic acid methylamino ester IUPAC Name: methylamino 3-acetamido-5-acetyl-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-acetyl-2,4,6-triiodo-benzoic acid methylamino ester Formula: C12H11I3N2O4 MolecularWeight: 627.94015

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)ONC)I

Isomeric SMILES

CC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)ONC)I

InChI

InChI=1S/C12H11I3N2O4/c1-4(18)6-8(13)7(12(20)21-16-3)10(15)11(9(6)14)17-5(2)19/h16H,1-3H3,(H,17,19)