[3-[[3-acetamido-5-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]-2-acetyloxy-propyl] ethanoate

Systemtic Name: [3-[[3-acetamido-5-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]-2-acetyloxy-propyl] ethanoate Openeye Name: [3-[(3-acetamido-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]-2-acetoxy-propyl] acetate CAS Name: acetic acid [3-[[(3-acetamido-5-carbamoyl-2,4,6-triiodophenyl)-oxomethyl]amino]-2-acetyloxypropyl] ester IUPAC Name: [3-[(3-acetamido-5-carbamoyl-2,4,6-triiodobenzoyl)amino]-2-acetyloxypropyl] acetate Traditional Name: acetic acid [3-[(3-acetamido-5-carbamoyl-2,4,6-triiodo-benzoyl)amino]-2-acetoxy-propyl] ester Formula: C17H18I3N3O7 MolecularWeight: 757.05413

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(COC(=O)C)OC(=O)C)I)C(=O)N)I

Isomeric SMILES

CC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(COC(=O)C)OC(=O)C)I)C(=O)N)I

InChI

InChI=1S/C17H18I3N3O7/c1-6(24)23-15-13(19)10(16(21)27)12(18)11(14(15)20)17(28)22-4-9(30-8(3)26)5-29-7(2)25/h9H,4-5H2,1-3H3,(H2,21,27)(H,22,28)(H,23,24)