2-[(4-tert-butylphenyl)-oxidanyl-methyl]prop-2-enenitrile

Systemtic Name: 2-[(4-tert-butylphenyl)-oxidanyl-methyl]prop-2-enenitrile Openeye Name: 2-[(4-tert-butylphenyl)-hydroxy-methyl]prop-2-enenitrile CAS Name: 2-[(4-tert-butylphenyl)-hydroxymethyl]-2-propenenitrile IUPAC Name: 2-[(4-tert-butylphenyl)-hydroxymethyl]prop-2-enenitrile Traditional Name: 2-[(4-tert-butylphenyl)-hydroxy-methyl]acrylonitrile Formula: C14H17NO MolecularWeight: 215.29088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C(=C)C#N)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(C(=C)C#N)O

InChI

InChI=1S/C14H17NO/c1-10(9-15)13(16)11-5-7-12(8-6-11)14(2,3)4/h5-8,13,16H,1H2,2-4H3