4-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(o-tolyl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(2-methylphenyl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(o-tolyl)acryloyl]benzonitrile Formula: C17H13NO MolecularWeight: 247.29122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO/c1-13-4-2-3-5-15(13)10-11-17(19)16-8-6-14(12-18)7-9-16/h2-11H,1H3/b11-10+