(4-cyanophenyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (4-cyanophenyl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (4-cyanophenyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (4-cyanophenyl) ester Formula: C18H12I3N3O4 MolecularWeight: 715.01899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12I3N3O4/c1-8(25)23-16-13(19)12(14(20)17(15(16)21)24-9(2)26)18(27)28-11-5-3-10(7-22)4-6-11/h3-6H,1-2H3,(H,23,25)(H,24,26)