5-ethoxy-3-oxidanylidene-2-(4-propan-2-ylphenyl)pentanenitrile

Systemtic Name: 5-ethoxy-3-oxidanylidene-2-(4-propan-2-ylphenyl)pentanenitrile Openeye Name: 5-ethoxy-2-(4-isopropylphenyl)-3-oxo-pentanenitrile CAS Name: 5-ethoxy-3-oxo-2-(4-propan-2-ylphenyl)pentanenitrile IUPAC Name: 5-ethoxy-3-oxo-2-(4-propan-2-ylphenyl)pentanenitrile Traditional Name: 5-ethoxy-3-keto-2-p-cumenyl-valeronitrile Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-4-19-10-9-16(18)15(11-17)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9-10H2,1-3H3