[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C16H14N4O6 MolecularWeight: 358.30556

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC(=O)NC3=NC=CC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NCC(=O)OCC(=O)NC3=NC=CC=N3

InChI

InChI=1S/C16H14N4O6/c21-13(20-16-17-4-1-5-18-16)8-24-14(22)7-19-15(23)10-2-3-11-12(6-10)26-9-25-11/h1-6H,7-9H2,(H,19,23)(H,17,18,20,21)