(E)-2-methyl-2-oxidanyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enenitrile

Systemtic Name: (E)-2-methyl-2-oxidanyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enenitrile Openeye Name: (E)-2-hydroxy-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enenitrile CAS Name: (E)-2-hydroxy-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-butenenitrile IUPAC Name: (E)-2-hydroxy-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enenitrile Traditional Name: (E)-2-hydroxy-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-enenitrile Formula: C14H21NO MolecularWeight: 219.32264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(C)(C#N)O

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(C)(C#N)O

InChI

InChI=1S/C14H21NO/c1-11-6-5-8-13(2,3)12(11)7-9-14(4,16)10-15/h7,9,16H,5-6,8H2,1-4H3/b9-7+