[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c19-7-1-9-21(10-2-8-20)17(22)12-24-18(23)6-4-14-3-5-15-16(11-14)26-13-25-15/h3,5,11H,1-2,4,6,9-10,12-13H2