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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=CC=CC=C2OCC#C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=CC=CC=C2OCC#C)/C#N

InChI

InChI=1S/C20H15NO2/c1-3-11-23-19-10-5-4-8-16(19)13-18(14-21)20(22)17-9-6-7-15(2)12-17/h1,4-10,12-13H,11H2,2H3/b18-13+