dimethyl (1S,4R)-3-bromanyl-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate

Systemtic Name: dimethyl (1S,4R)-3-bromanyl-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate Openeye Name: dimethyl (1S,4R)-3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate CAS Name: (1S,4R)-3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4R)-3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate Traditional Name: (1S,4R)-3-bromo-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylic acid dimethyl ester Formula: C10H10BrNO4 MolecularWeight: 288.0947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2C=CC1N2C(=O)OC)Br

Isomeric SMILES

COC(=O)C1=C([C@H]2C=C[C@@H]1N2C(=O)OC)Br

InChI

InChI=1S/C10H10BrNO4/c1-15-9(13)7-5-3-4-6(8(7)11)12(5)10(14)16-2/h3-6H,1-2H3/t5-,6+/m0/s1