dimethyl 5-(2-acetyloxyethanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-acetyloxyethanoylamino)-2,4,6-tris(iodanyl)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-acetoxyacetyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxylate CAS Name: 5-[(2-acetyloxy-1-oxoethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-acetyloxyacetyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxylate Traditional Name: 5-[(2-acetoxyacetyl)amino]-2,4,6-triiodo-benzene-1,3-dicarboxylic acid dimethyl ester Formula: C14H12I3NO7 MolecularWeight: 686.96099

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)NC1=C(C(=C(C(=C1I)C(=O)OC)I)C(=O)OC)I

Isomeric SMILES

CC(=O)OCC(=O)NC1=C(C(=C(C(=C1I)C(=O)OC)I)C(=O)OC)I

InChI

InChI=1S/C14H12I3NO7/c1-5(19)25-4-6(20)18-12-10(16)7(13(21)23-2)9(15)8(11(12)17)14(22)24-3/h4H2,1-3H3,(H,18,20)