ethyl 3-(5-chloranylpyridin-3-yl)-3-isocyano-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-(5-chloranylpyridin-3-yl)-3-isocyano-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-(5-chloro-3-pyridyl)-3-isocyano-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-(5-chloro-3-pyridinyl)-3-isocyano-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-chloropyridin-3-yl)-3-isocyano-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-(5-chloro-3-pyridyl)-3-isocyano-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC1CC(C2)(C3=CC(=CN=C3)Cl)[N+]#[C-]

Isomeric SMILES

CCOC(=O)N1C2CCC1CC(C2)(C3=CC(=CN=C3)Cl)[N+]#[C-]

InChI

InChI=1S/C16H18ClN3O2/c1-3-22-15(21)20-13-4-5-14(20)8-16(7-13,18-2)11-6-12(17)10-19-9-11/h6,9-10,13-14H,3-5,7-8H2,1H3