methyl 8-bromanyl-6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-4-carboxylate

Systemtic Name: methyl 8-bromanyl-6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-4-carboxylate Openeye Name: methyl 8-bromo-6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-4-carboxylate CAS Name: 8-bromo-6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-4-carboxylic acid methyl ester IUPAC Name: methyl 8-bromo-6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-4-carboxylate Traditional Name: 8-bromo-6,6,7,7-tetracyano-4-azabicyclo[3.2.2]nona-2,8-diene-4-carboxylic acid methyl ester Formula: C14H8BrN5O2 MolecularWeight: 358.14962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2C(=CC1C(C2(C#N)C#N)(C#N)C#N)Br

Isomeric SMILES

COC(=O)N1C=CC2C(=CC1C(C2(C#N)C#N)(C#N)C#N)Br

InChI

InChI=1S/C14H8BrN5O2/c1-22-12(21)20-3-2-9-10(15)4-11(20)14(7-18,8-19)13(9,5-16)6-17/h2-4,9,11H,1H3