4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(2,5-dimethylphenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(2,5-dimethylphenyl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(2,5-dimethylphenyl)acryloyl]benzonitrile Formula: C18H15NO MolecularWeight: 261.3178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO/c1-13-3-4-14(2)17(11-13)9-10-18(20)16-7-5-15(12-19)6-8-16/h3-11H,1-2H3/b10-9+