[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H20N2O8/c1-26-14-6-4-13(8-16(14)27-2)22-18(23)10-28-19(24)9-21-20(25)12-3-5-15-17(7-12)30-11-29-15/h3-8H,9-11H2,1-2H3,(H,21,25)(H,22,23)