N-(methylcarbamoyl)ethanamide; 2,4,6-tris(bromanyl)-3-methyl-benzoic acid

Systemtic Name: N-(methylcarbamoyl)ethanamide; 2,4,6-tris(bromanyl)-3-methyl-benzoic acid Openeye Name: N-(methylcarbamoyl)acetamide; 2,4,6-tribromo-3-methyl-benzoic acid CAS Name: N-(methylcarbamoyl)acetamide; 2,4,6-tribromo-3-methylbenzoic acid IUPAC Name: N-(methylcarbamoyl)acetamide; 2,4,6-tribromo-3-methylbenzoic acid Traditional Name: N-(methylcarbamoyl)acetamide; 2,4,6-tribromo-3-methyl-benzoic acid Formula: C12H13Br3N2O4 MolecularWeight: 488.95462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1Br)C(=O)O)Br)Br.CC(=O)NC(=O)NC

Isomeric SMILES

CC1=C(C=C(C(=C1Br)C(=O)O)Br)Br.CC(=O)NC(=O)NC

InChI

InChI=1S/C8H5Br3O2.C4H8N2O2/c1-3-4(9)2-5(10)6(7(3)11)8(12)13;1-3(7)6-4(8)5-2/h2H,1H3,(H,12,13);1-2H3,(H2,5,6,7,8)