2-[[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethyl ethanoate

Systemtic Name: 2-[[3-aminocarbonyl-2,4,6-tris(iodanyl)phenyl]carbonylamino]ethyl ethanoate Openeye Name: 2-[(3-carbamoyl-2,4,6-triiodo-benzoyl)amino]ethyl acetate CAS Name: acetic acid 2-[[(3-carbamoyl-2,4,6-triiodophenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-carbamoyl-2,4,6-triiodobenzoyl)amino]ethyl acetate Traditional Name: acetic acid 2-[(3-carbamoyl-2,4,6-triiodo-benzoyl)amino]ethyl ester Formula: C12H11I3N2O4 MolecularWeight: 627.94015

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCNC(=O)C1=C(C=C(C(=C1I)C(=O)N)I)I

Isomeric SMILES

CC(=O)OCCNC(=O)C1=C(C=C(C(=C1I)C(=O)N)I)I

InChI

InChI=1S/C12H11I3N2O4/c1-5(18)21-3-2-17-12(20)9-7(14)4-6(13)8(10(9)15)11(16)19/h4H,2-3H2,1H3,(H2,16,19)(H,17,20)