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

Systemtic Name: (1-ethoxy-1-oxidanylidene-butan-2-yl) 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: 1-ethoxycarbonylpropyl 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid (1-ethoxy-1-oxobutan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxobutan-2-yl) 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid 1-carbethoxypropyl ester Formula: C13H14I3NO4 MolecularWeight: 628.96797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14I3NO4/c1-3-8(12(18)20-4-2)21-13(19)9-6(14)5-7(15)11(17)10(9)16/h5,8H,3-4,17H2,1-2H3