[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C12H11IN2O3 MolecularWeight: 358.13181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC(=C1)I)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C12H11IN2O3/c13-10-4-1-3-9(7-10)12(17)18-8-11(16)15-6-2-5-14/h1,3-4,7H,2,6,8H2,(H,15,16)