(1R,4S)-6-chloranyl-1-methyl-4-phenyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one

Systemtic Name: (1R,4S)-6-chloranyl-1-methyl-4-phenyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Openeye Name: (1R,4S)-6-chloro-1-methyl-4-phenyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one CAS Name: (1R,4S)-6-chloro-1-methyl-4-phenyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one IUPAC Name: (1R,4S)-6-chloro-1-methyl-4-phenyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Traditional Name: (1R,4S)-6-chloro-1-methyl-4-phenyl-2-oxa-5-azabicyclo[2.2.2]oct-5-en-3-one Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(=O)O1)(N=C2Cl)C3=CC=CC=C3

Isomeric SMILES

C[C@]12CC[C@](C(=O)O1)(N=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C13H12ClNO2/c1-12-7-8-13(11(16)17-12,15-10(12)14)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3/t12-,13+/m1/s1