2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[3,5-diacetamido-2,4,6-tris(iodanyl)phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]butanedioic acid CAS Name: 2-[[(3,5-diacetamido-2,4,6-triiodophenyl)-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[(3,5-diacetamido-2,4,6-triiodobenzoyl)amino]butanedioic acid Traditional Name: 2-[(3,5-diacetamido-2,4,6-triiodo-benzoyl)amino]succinic acid Formula: C15H14I3N3O7 MolecularWeight: 729.00097

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CC(=O)O)C(=O)O)I)NC(=O)C)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CC(=O)O)C(=O)O)I)NC(=O)C)I

InChI

InChI=1S/C15H14I3N3O7/c1-4(22)19-12-9(16)8(10(17)13(11(12)18)20-5(2)23)14(26)21-6(15(27)28)3-7(24)25/h6H,3H2,1-2H3,(H,19,22)(H,20,23)(H,21,26)(H,24,25)(H,27,28)