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

Systemtic Name: (1-ethoxy-1-oxidanylidene-butan-2-yl) 3,5-diacetamido-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-ethoxycarbonylpropyl 3,5-diacetamido-2,4,6-triiodo-benzoate CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid (1-ethoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxobutan-2-yl) 3,5-diacetamido-2,4,6-triiodobenzoate Traditional Name: 3,5-diacetamido-2,4,6-triiodo-benzoic acid 1-carbethoxypropyl ester Formula: C17H19I3N2O6 MolecularWeight: 728.05597

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

Isomeric SMILES

CCC(C(=O)OCC)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I

InChI

InChI=1S/C17H19I3N2O6/c1-5-9(16(25)27-6-2)28-17(26)10-11(18)14(21-7(3)23)13(20)15(12(10)19)22-8(4)24/h9H,5-6H2,1-4H3,(H,21,23)(H,22,24)