methyl (1R,4R,8R)-8-chloranyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate

Systemtic Name: methyl (1R,4R,8R)-8-chloranyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: methyl (1R,4R,8R)-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate CAS Name: (1R,4R,8R)-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester IUPAC Name: methyl (1R,4R,8R)-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Traditional Name: (1R,4R,8R)-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester Formula: C9H12ClNO2 MolecularWeight: 201.65008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2CNC1C=C2)Cl

Isomeric SMILES

COC(=O)[C@]1(C[C@H]2CN[C@@H]1C=C2)Cl

InChI

InChI=1S/C9H12ClNO2/c1-13-8(12)9(10)4-6-2-3-7(9)11-5-6/h2-3,6-7,11H,4-5H2,1H3/t6-,7+,9+/m0/s1