dimethyl (2R,3R)-2,3-dicyano-4-phenyl-1-azabicyclo[2.1.1]hexane-2,3-dicarboxylate

Systemtic Name: dimethyl (2R,3R)-2,3-dicyano-4-phenyl-1-azabicyclo[2.1.1]hexane-2,3-dicarboxylate Openeye Name: dimethyl (2R,3R)-2,3-dicyano-4-phenyl-1-azabicyclo[2.1.1]hexane-2,3-dicarboxylate CAS Name: (2R,3R)-2,3-dicyano-4-phenyl-1-azabicyclo[2.1.1]hexane-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3R)-2,3-dicyano-4-phenyl-1-azabicyclo[2.1.1]hexane-2,3-dicarboxylate Traditional Name: (2R,3R)-2,3-dicyano-4-phenyl-1-azabicyclo[2.1.1]hexane-2,3-dicarboxylic acid dimethyl ester Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2(CN(C2)C1(C#N)C(=O)OC)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)[C@]1([C@@](N2CC1(C2)C3=CC=CC=C3)(C#N)C(=O)OC)C#N

InChI

InChI=1S/C17H15N3O4/c1-23-13(21)16(8-18)15(12-6-4-3-5-7-12)10-20(11-15)17(16,9-19)14(22)24-2/h3-7H,10-11H2,1-2H3/t16-,17-/m1/s1