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

Systemtic Name: phenoxycarbonyloxymethyl 3-acetamido-5-[ethanoyl(methyl)amino]-2,4,6-tris(iodanyl)benzoate Openeye Name: phenoxycarbonyloxymethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid [oxo(phenoxy)methoxy]methyl ester IUPAC Name: phenoxycarbonyloxymethyl 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-benzoic acid carbophenoxyoxymethyl ester Formula: C20H17I3N2O7 MolecularWeight: 778.07159

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCOC(=O)OC2=CC=CC=C2)I)N(C)C(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)OCOC(=O)OC2=CC=CC=C2)I)N(C)C(=O)C)I

InChI

InChI=1S/C20H17I3N2O7/c1-10(26)24-17-14(21)13(15(22)18(16(17)23)25(3)11(2)27)19(28)30-9-31-20(29)32-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3,(H,24,26)