ethyl 3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate

Systemtic Name: ethyl 3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate Openeye Name: ethyl 3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate CAS Name: 3-(5-chloro-3-pyridinyl)-3-cyano-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(5-chloropyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate Traditional Name: 3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylic acid ethyl ester Formula: C16H16ClN3O2 MolecularWeight: 317.77014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CC(CC1C=C2)(C#N)C3=CC(=CN=C3)Cl

Isomeric SMILES

CCOC(=O)N1C2CC(CC1C=C2)(C#N)C3=CC(=CN=C3)Cl

InChI

InChI=1S/C16H16ClN3O2/c1-2-22-15(21)20-13-3-4-14(20)7-16(6-13,10-18)11-5-12(17)9-19-8-11/h3-5,8-9,13-14H,2,6-7H2,1H3