3-(acetamidomethyl)-5-cyano-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(acetamidomethyl)-5-cyano-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(acetamidomethyl)-5-cyano-2,4,6-triiodo-benzoic acid CAS Name: 3-(acetamidomethyl)-5-cyano-2,4,6-triiodobenzoic acid IUPAC Name: 3-(acetamidomethyl)-5-cyano-2,4,6-triiodobenzoic acid Traditional Name: 3-(acetamidomethyl)-5-cyano-2,4,6-triiodo-benzoic acid Formula: C11H7I3N2O3 MolecularWeight: 595.89829

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)C#N)I

Isomeric SMILES

CC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)C#N)I

InChI

InChI=1S/C11H7I3N2O3/c1-4(17)16-3-6-8(12)5(2-15)9(13)7(10(6)14)11(18)19/h3H2,1H3,(H,16,17)(H,18,19)