(E)-3-(2,5-dimethylphenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(2,5-dimethylphenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(2,5-dimethylphenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(2,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(2,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(2,5-dimethylphenyl)acrylonitrile Formula: C18H15NO MolecularWeight: 261.3178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C=C(C#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C=C(\C#N)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H15NO/c1-13-8-9-14(2)16(10-13)11-17(12-19)18(20)15-6-4-3-5-7-15/h3-11H,1-2H3/b17-11+