4-(5-cyanopyridin-3-yl)-4,7-diazabicyclo[4.2.0]octane-7-carboxylate

Systemtic Name: 4-(5-cyanopyridin-3-yl)-4,7-diazabicyclo[4.2.0]octane-7-carboxylate Openeye Name: 4-(5-cyano-3-pyridyl)-4,7-diazabicyclo[4.2.0]octane-7-carboxylate CAS Name: 4-(5-cyano-3-pyridinyl)-4,7-diazabicyclo[4.2.0]octane-7-carboxylate IUPAC Name: 4-(5-cyanopyridin-3-yl)-4,7-diazabicyclo[4.2.0]octane-7-carboxylate Traditional Name: 4-(5-cyano-3-pyridyl)-4,7-diazabicyclo[4.2.0]octane-7-carboxylate Formula: C13H13N4O2- MolecularWeight: 257.26792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2C1CN2C(=O)[O-])C3=CN=CC(=C3)C#N

Isomeric SMILES

C1CN(CC2C1CN2C(=O)[O-])C3=CN=CC(=C3)C#N

InChI

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