1-(5-cyanopyridin-3-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate

Systemtic Name: 1-(5-cyanopyridin-3-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate Openeye Name: 1-(5-cyano-3-pyridyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate CAS Name: 1-(5-cyano-3-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate IUPAC Name: 1-(5-cyanopyridin-3-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate Traditional Name: 1-(5-cyano-3-pyridyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate Formula: C13H13N4O2- MolecularWeight: 257.26792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2C1CN(C2)C(=O)[O-])C3=CN=CC(=C3)C#N

Isomeric SMILES

C1CN(C2C1CN(C2)C(=O)[O-])C3=CN=CC(=C3)C#N

InChI

InChI=1S/C13H14N4O2/c14-4-9-3-11(6-15-5-9)17-2-1-10-7-16(13(18)19)8-12(10)17/h3,5-6,10,12H,1-2,7-8H2,(H,18,19)/p-1