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

Systemtic Name: 3-aminocarbonyl-5-cyano-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-carbamoyl-5-cyano-2,4,6-triiodo-benzoic acid CAS Name: 3-carbamoyl-5-cyano-2,4,6-triiodobenzoic acid IUPAC Name: 3-carbamoyl-5-cyano-2,4,6-triiodobenzoic acid Traditional Name: 3-carbamoyl-5-cyano-2,4,6-triiodo-benzoic acid Formula: C9H3I3N2O3 MolecularWeight: 567.84513

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Descriptors Computed from Structure

Canonical SMILES:

C(#N)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I

Isomeric SMILES

C(#N)C1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)N)I

InChI

InChI=1S/C9H3I3N2O3/c10-5-2(1-13)6(11)4(9(16)17)7(12)3(5)8(14)15/h(H2,14,15)(H,16,17)