6-(6-bromanyl-5-cyano-pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

Systemtic Name: 6-(6-bromanyl-5-cyano-pyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate Openeye Name: 6-(6-bromo-5-cyano-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate CAS Name: 6-(6-bromo-5-cyano-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate IUPAC Name: 6-(6-bromo-5-cyanopyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate Traditional Name: 6-(6-bromo-5-cyano-3-pyridyl)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate Formula: C12H10BrN4O2- MolecularWeight: 322.1374

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(C2CN1C(=O)[O-])C3=CN=C(C(=C3)C#N)Br

Isomeric SMILES

C1C2CN(C2CN1C(=O)[O-])C3=CN=C(C(=C3)C#N)Br

InChI

InChI=1S/C12H11BrN4O2/c13-11-7(2-14)1-9(3-15-11)17-5-8-4-16(12(18)19)6-10(8)17/h1,3,8,10H,4-6H2,(H,18,19)/p-1