(1R,3aR)-1-propan-2-yl-1,3,3a,6-tetrahydro-2-benzofuran-4,4,5,5-tetracarbonitrile

Systemtic Name: (1R,3aR)-1-propan-2-yl-1,3,3a,6-tetrahydro-2-benzofuran-4,4,5,5-tetracarbonitrile Openeye Name: (1R,3aR)-1-isopropyl-1,3,3a,6-tetrahydroisobenzofuran-4,4,5,5-tetracarbonitrile CAS Name: (1R,3aR)-1-propan-2-yl-1,3,3a,6-tetrahydroisobenzofuran-4,4,5,5-tetracarbonitrile IUPAC Name: (1R,3aR)-1-propan-2-yl-1,3,3a,6-tetrahydro-2-benzofuran-4,4,5,5-tetracarbonitrile Traditional Name: (1R,3aR)-1-isopropyl-1,3,3a,6-tetrahydroisobenzofuran-4,4,5,5-tetracarbonitrile Formula: C15H14N4O MolecularWeight: 266.29786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2=CCC(C(C2CO1)(C#N)C#N)(C#N)C#N

Isomeric SMILES

CC(C)[C@@H]1C2=CCC(C([C@H]2CO1)(C#N)C#N)(C#N)C#N

InChI

InChI=1S/C15H14N4O/c1-10(2)13-11-3-4-14(6-16,7-17)15(8-18,9-19)12(11)5-20-13/h3,10,12-13H,4-5H2,1-2H3/t12-,13+/m0/s1