3,6-diacetamido-2,4,6-tris(iodanyl)cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: 3,6-diacetamido-2,4,6-tris(iodanyl)cyclohexa-2,4-diene-1-carboxamide Openeye Name: 3,6-diacetamido-2,4,6-triiodo-cyclohexa-2,4-diene-1-carboxamide CAS Name: 3,6-diacetamido-2,4,6-triiodo-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: 3,6-diacetamido-2,4,6-triiodocyclohexa-2,4-diene-1-carboxamide Traditional Name: 3,6-diacetamido-2,4,6-triiodo-cyclohexa-2,4-diene-1-carboxamide Formula: C11H12I3N3O3 MolecularWeight: 614.94469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(C(C=C1I)(NC(=O)C)I)C(=O)N)I

Isomeric SMILES

CC(=O)NC1=C(C(C(C=C1I)(NC(=O)C)I)C(=O)N)I

InChI

InChI=1S/C11H12I3N3O3/c1-4(18)16-9-6(12)3-11(14,17-5(2)19)7(8(9)13)10(15)20/h3,7H,1-2H3,(H2,15,20)(H,16,18)(H,17,19)