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

Systemtic Name: 1-phenoxycarbonyloxyethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-phenoxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid 1-[oxo(phenoxy)methoxy]ethyl ester IUPAC Name: 1-phenoxycarbonyloxyethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid 1-carbophenoxyoxyethyl ester Formula: C21H19I3N2O7 MolecularWeight: 792.09817

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I)OC(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(OC(=O)C1=C(C(=C(C(=C1I)N(C)C(=O)C)I)NC(=O)C)I)OC(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H19I3N2O7/c1-10(27)25-18-15(22)14(16(23)19(17(18)24)26(4)11(2)28)20(29)31-12(3)32-21(30)33-13-8-6-5-7-9-13/h5-9,12H,1-4H3,(H,25,27)