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

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-azanyl-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-amino-2,4,6-triiodo-benzoate CAS Name: 3-amino-2,4,6-triiodobenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-amino-2,4,6-triiodobenzoate Traditional Name: 3-amino-2,4,6-triiodo-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C16H11I3N2O5 MolecularWeight: 691.98235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11I3N2O5/c17-8-4-9(18)15(20)14(19)13(8)16(23)24-5-12(22)21-7-1-2-10-11(3-7)26-6-25-10/h1-4H,5-6,20H2,(H,21,22)