3-azanyl-2,4,6-tris(iodanyl)-5-methyl-benzoic acid; ethanamide

Systemtic Name: 3-azanyl-2,4,6-tris(iodanyl)-5-methyl-benzoic acid; ethanamide Openeye Name: acetamide; 3-amino-2,4,6-triiodo-5-methyl-benzoic acid CAS Name: acetamide; 3-amino-2,4,6-triiodo-5-methylbenzoic acid IUPAC Name: acetamide; 3-amino-2,4,6-triiodo-5-methylbenzoic acid Traditional Name: acetamide; 3-amino-2,4,6-triiodo-5-methyl-benzoic acid Formula: C10H11I3N2O3 MolecularWeight: 587.91935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1I)C(=O)O)I)N)I.CC(=O)N

Isomeric SMILES

CC1=C(C(=C(C(=C1I)C(=O)O)I)N)I.CC(=O)N

InChI

InChI=1S/C8H6I3NO2.C2H5NO/c1-2-4(9)3(8(13)14)6(11)7(12)5(2)10;1-2(3)4/h12H2,1H3,(H,13,14);1H3,(H2,3,4)