(1R,4S)-1,3,5-tritert-butyl-2-methoxy-cyclohexa-2,5-diene-1,4-dicarbonitrile

Systemtic Name: (1R,4S)-1,3,5-tritert-butyl-2-methoxy-cyclohexa-2,5-diene-1,4-dicarbonitrile Openeye Name: (1R,4S)-1,3,5-tritert-butyl-2-methoxy-cyclohexa-2,5-diene-1,4-dicarbonitrile CAS Name: (1R,4S)-1,3,5-tritert-butyl-2-methoxycyclohexa-2,5-diene-1,4-dicarbonitrile IUPAC Name: (1R,4S)-1,3,5-tritert-butyl-2-methoxycyclohexa-2,5-diene-1,4-dicarbonitrile Traditional Name: (1R,4S)-1,3,5-tritert-butyl-2-methoxy-cyclohexa-2,5-diene-1,4-dicarbonitrile Formula: C21H32N2O MolecularWeight: 328.49158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(C(=C(C1C#N)C(C)(C)C)OC)(C#N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C[C@](C(=C([C@H]1C#N)C(C)(C)C)OC)(C#N)C(C)(C)C

InChI

InChI=1S/C21H32N2O/c1-18(2,3)15-11-21(13-23,20(7,8)9)17(24-10)16(14(15)12-22)19(4,5)6/h11,14H,1-10H3/t14-,21+/m0/s1