2-[4-[(E)-3-(4-tert-butylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(4-tert-butylphenyl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-tert-butylphenyl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-tert-butylphenyl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-tert-butylphenyl)-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC#N

InChI

InChI=1S/C21H21NO2/c1-21(2,3)18-9-7-17(8-10-18)20(23)13-6-16-4-11-19(12-5-16)24-15-14-22/h4-13H,15H2,1-3H3/b13-6+