[2-(diethylamino)-2-oxidanylidene-ethyl] 3,5-bis(diethanoylamino)-2,4,6-tris(iodanyl)benzoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 3,5-bis(diethanoylamino)-2,4,6-tris(iodanyl)benzoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 3,5-bis(diacetylamino)-2,4,6-triiodo-benzoate CAS Name: 3,5-bis(diacetylamino)-2,4,6-triiodobenzoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 3,5-bis(diacetylamino)-2,4,6-triiodobenzoate Traditional Name: 3,5-bis(diacetylamino)-2,4,6-triiodo-benzoic acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C21H24I3N3O7 MolecularWeight: 811.14457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=C(C(=C(C(=C1I)N(C(=O)C)C(=O)C)I)N(C(=O)C)C(=O)C)I

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=C(C(=C(C(=C1I)N(C(=O)C)C(=O)C)I)N(C(=O)C)C(=O)C)I

InChI

InChI=1S/C21H24I3N3O7/c1-7-25(8-2)14(32)9-34-21(33)15-16(22)19(26(10(3)28)11(4)29)18(24)20(17(15)23)27(12(5)30)13(6)31/h7-9H2,1-6H3