[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H16N2O5 MolecularWeight: 304.29794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5/c16-6-1-7-17-14(18)9-20-15(19)5-3-11-2-4-12-13(8-11)22-10-21-12/h2,4,8H,1,3,5,7,9-10H2,(H,17,18)