7-(6-chloranyl-5-methyl-pyridin-3-yl)-4,7-diazabicyclo[4.2.0]octane-4-carboxylate

Systemtic Name: 7-(6-chloranyl-5-methyl-pyridin-3-yl)-4,7-diazabicyclo[4.2.0]octane-4-carboxylate Openeye Name: 7-(6-chloro-5-methyl-3-pyridyl)-4,7-diazabicyclo[4.2.0]octane-4-carboxylate CAS Name: 7-(6-chloro-5-methyl-3-pyridinyl)-4,7-diazabicyclo[4.2.0]octane-4-carboxylate IUPAC Name: 7-(6-chloro-5-methylpyridin-3-yl)-4,7-diazabicyclo[4.2.0]octane-4-carboxylate Traditional Name: 7-(6-chloro-5-methyl-3-pyridyl)-4,7-diazabicyclo[4.2.0]octane-4-carboxylate Formula: C13H15ClN3O2- MolecularWeight: 280.7301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1Cl)N2CC3C2CN(CC3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CN=C1Cl)N2CC3C2CN(CC3)C(=O)[O-]

InChI

InChI=1S/C13H16ClN3O2/c1-8-4-10(5-15-12(8)14)17-6-9-2-3-16(13(18)19)7-11(9)17/h4-5,9,11H,2-3,6-7H2,1H3,(H,18,19)/p-1