[3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]oct-6-en-8-yl] benzoate

Systemtic Name: [3-(5-chloranylpyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]oct-6-en-8-yl] benzoate Openeye Name: [3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]oct-6-en-8-yl] benzoate CAS Name: benzoic acid [3-(5-chloro-3-pyridinyl)-3-cyano-8-azabicyclo[3.2.1]oct-6-en-8-yl] ester IUPAC Name: [3-(5-chloropyridin-3-yl)-3-cyano-8-azabicyclo[3.2.1]oct-6-en-8-yl] benzoate Traditional Name: benzoic acid [3-(5-chloro-3-pyridyl)-3-cyano-8-azabicyclo[3.2.1]oct-6-en-8-yl] ester Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC(N2OC(=O)C3=CC=CC=C3)CC1(C#N)C4=CC(=CN=C4)Cl

Isomeric SMILES

C1C2C=CC(N2OC(=O)C3=CC=CC=C3)CC1(C#N)C4=CC(=CN=C4)Cl

InChI

InChI=1S/C20H16ClN3O2/c21-16-8-15(11-23-12-16)20(13-22)9-17-6-7-18(10-20)24(17)26-19(25)14-4-2-1-3-5-14/h1-8,11-12,17-18H,9-10H2