(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate

Systemtic Name: (1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: (1-carbamoyl-2-methyl-propyl) 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (1-amino-3-methyl-1-oxobutan-2-yl) ester IUPAC Name: (1-amino-3-methyl-1-oxobutan-2-yl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid (1-carbamoyl-2-methyl-propyl) ester Formula: C16H18I3N3O5 MolecularWeight: 713.04463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CC(C)C(C(=O)N)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C16H18I3N3O5/c1-5(2)14(15(20)25)27-16(26)8-9(17)12(21-6(3)23)11(19)13(10(8)18)22-7(4)24/h5,14H,1-4H3,(H2,20,25)(H,21,23)(H,22,24)