[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CNC(=O)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C16H17N3O6/c1-19(6-2-5-17)14(20)9-23-15(21)8-18-16(22)11-3-4-12-13(7-11)25-10-24-12/h3-4,7H,2,6,8-10H2,1H3,(H,18,22)