ethanenitrile; (E)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile

Systemtic Name: ethanenitrile; (E)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile Openeye Name: acetonitrile; (E)-3-(3-benzyloxyphenyl)prop-2-enenitrile CAS Name: acetonitrile; (E)-3-(3-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: acetonitrile; (E)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: acetonitrile; (E)-3-(3-benzoxyphenyl)acrylonitrile Formula: C18H16N2O MolecularWeight: 276.33244

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C1=CC=C(C=C1)COC2=CC=CC(=C2)C=CC#N

Isomeric SMILES

CC#N.C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/C#N

InChI

InChI=1S/C16H13NO.C2H3N/c17-11-5-9-14-8-4-10-16(12-14)18-13-15-6-2-1-3-7-15;1-2-3/h1-10,12H,13H2;1H3/b9-5+;