2,4,6-tris(bromanyl)-3,5-bis(2-methoxyethanoylamino)benzoic acid

Systemtic Name: 2,4,6-tris(bromanyl)-3,5-bis(2-methoxyethanoylamino)benzoic acid Openeye Name: 2,4,6-tribromo-3,5-bis[(2-methoxyacetyl)amino]benzoic acid CAS Name: 2,4,6-tribromo-3,5-bis[(2-methoxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 2,4,6-tribromo-3,5-bis[(2-methoxyacetyl)amino]benzoic acid Traditional Name: 2,4,6-tribromo-3,5-bis[(2-methoxyacetyl)amino]benzoic acid Formula: C13H13Br3N2O6 MolecularWeight: 532.96412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C(=C(C(=C1Br)C(=O)O)Br)NC(=O)COC)Br

Isomeric SMILES

COCC(=O)NC1=C(C(=C(C(=C1Br)C(=O)O)Br)NC(=O)COC)Br

InChI

InChI=1S/C13H13Br3N2O6/c1-23-3-5(19)17-11-8(14)7(13(21)22)9(15)12(10(11)16)18-6(20)4-24-2/h3-4H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)