methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoate

Systemtic Name: methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-tris(iodanyl)benzoate Openeye Name: methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoate CAS Name: 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid methyl ester IUPAC Name: methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate Traditional Name: 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodo-benzoic acid methyl ester Formula: C13H13I3N2O4 MolecularWeight: 641.96673

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)OC)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)OC)I)NC(=O)C)I

InChI

InChI=1S/C13H13I3N2O4/c1-5(19)17-4-7-9(14)8(13(21)22-3)11(16)12(10(7)15)18-6(2)20/h4H2,1-3H3,(H,17,19)(H,18,20)