(E)-2-(2-methylphenyl)carbonyl-3-(2-prop-2-ynoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(2-methylphenyl)carbonyl-3-(2-prop-2-ynoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-(2-methylbenzoyl)-3-(2-prop-2-ynoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[(2-methylphenyl)-oxomethyl]-3-(2-prop-2-ynoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(2-methylbenzoyl)-3-(2-prop-2-ynoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-o-toluoyl-3-(2-propargyloxyphenyl)acrylonitrile Formula: C20H15NO2 MolecularWeight: 301.3386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC=CC=C2OCC#C)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC=CC=C2OCC#C)/C#N

InChI

InChI=1S/C20H15NO2/c1-3-12-23-19-11-7-5-9-16(19)13-17(14-21)20(22)18-10-6-4-8-15(18)2/h1,4-11,13H,12H2,2H3/b17-13+