1-[(1E)-buta-1,3-dienyl]-3-ethenyl-2-methyl-benzene; prop-2-enenitrile

Systemtic Name: 1-[(1E)-buta-1,3-dienyl]-3-ethenyl-2-methyl-benzene; prop-2-enenitrile Openeye Name: 1-[(1E)-buta-1,3-dienyl]-2-methyl-3-vinyl-benzene; prop-2-enenitrile CAS Name: 1-[(1E)-buta-1,3-dienyl]-3-ethenyl-2-methylbenzene; 2-propenenitrile IUPAC Name: 1-[(1E)-buta-1,3-dienyl]-3-ethenyl-2-methylbenzene; prop-2-enenitrile Traditional Name: acrylonitrile; 1-[(1E)-buta-1,3-dienyl]-2-methyl-3-vinyl-benzene Formula: C16H17N MolecularWeight: 223.31288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C=CC=C)C=C.C=CC#N

Isomeric SMILES

CC1=C(C=CC=C1/C=C/C=C)C=C.C=CC#N

InChI

InChI=1S/C13H14.C3H3N/c1-4-6-8-13-10-7-9-12(5-2)11(13)3;1-2-3-4/h4-10H,1-2H2,3H3;2H,1H2/b8-6+;