[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C13H12N2O5/c14-4-1-5-15-12(16)7-18-13(17)9-2-3-10-11(6-9)20-8-19-10/h2-3,6H,1,5,7-8H2,(H,15,16)