[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C17H13I3N2O5 MolecularWeight: 706.00893

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C(=C(C=C3I)I)N)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)COC(=O)C3=C(C(=C(C=C3I)I)N)I

InChI

InChI=1S/C17H13I3N2O5/c18-9-4-10(19)16(21)15(20)14(9)17(24)25-6-13(23)22-5-8-1-2-11-12(3-8)27-7-26-11/h1-4H,5-7,21H2,(H,22,23)