5-bromanyl-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: 5-bromanyl-2-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]benzoate Openeye Name: 5-bromo-2-[2-(2-cyanoethylamino)-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoate IUPAC Name: 5-bromo-2-[2-(2-cyanoethylamino)-2-oxoethoxy]benzoate Traditional Name: 5-bromo-2-[2-(2-cyanoethylamino)-2-keto-ethoxy]benzoate Formula: C12H10BrN2O4- MolecularWeight: 326.1228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)[O-])OCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)[O-])OCC(=O)NCCC#N

InChI

InChI=1S/C12H11BrN2O4/c13-8-2-3-10(9(6-8)12(17)18)19-7-11(16)15-5-1-4-14/h2-3,6H,1,5,7H2,(H,15,16)(H,17,18)/p-1