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

Systemtic Name: 2,4,6-tris(bromanyl)-3-(2-methoxyethanoylamino)-5-(2-oxidanylethanoylamino)benzoic acid Openeye Name: 2,4,6-tribromo-3-[(2-hydroxyacetyl)amino]-5-[(2-methoxyacetyl)amino]benzoic acid CAS Name: 2,4,6-tribromo-3-[(2-hydroxy-1-oxoethyl)amino]-5-[(2-methoxy-1-oxoethyl)amino]benzoic acid IUPAC Name: 2,4,6-tribromo-3-[(2-hydroxyacetyl)amino]-5-[(2-methoxyacetyl)amino]benzoic acid Traditional Name: 2,4,6-tribromo-3-(glycoloylamino)-5-[(2-methoxyacetyl)amino]benzoic acid Formula: C12H11Br3N2O6 MolecularWeight: 518.93754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11Br3N2O6/c1-23-3-5(20)17-11-8(14)6(12(21)22)7(13)10(9(11)15)16-4(19)2-18/h18H,2-3H2,1H3,(H,16,19)(H,17,20)(H,21,22)