(E)-3-chloranyl-3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile; prop-2-enenitrile

Systemtic Name: (E)-3-chloranyl-3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile; prop-2-enenitrile Openeye Name: (E)-3-chloro-3-(4-methoxyphenyl)-2-phenyl-prop-2-enenitrile; prop-2-enenitrile CAS Name: (E)-3-chloro-3-(4-methoxyphenyl)-2-phenyl-2-propenenitrile; 2-propenenitrile IUPAC Name: (E)-3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile; prop-2-enenitrile Traditional Name: acrylonitrile; (E)-3-chloro-3-(4-methoxyphenyl)-2-phenyl-acrylonitrile Formula: C19H15ClN2O MolecularWeight: 322.7882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(C#N)C2=CC=CC=C2)Cl.C=CC#N

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C(\C#N)/C2=CC=CC=C2)/Cl.C=CC#N

InChI

InChI=1S/C16H12ClNO.C3H3N/c1-19-14-9-7-13(8-10-14)16(17)15(11-18)12-5-3-2-4-6-12;1-2-3-4/h2-10H,1H3;2H,1H2/b16-15-;