2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(2,4,5-trimethylphenyl)prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(2,4,5-trimethylphenyl)prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(2,4,5-trimethylphenyl)prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(2,4,5-trimethylphenyl)prop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(2,4,5-trimethylphenyl)prop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-keto-3-(2,4,5-trimethylphenyl)prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C=CC2=CC(=C(C=C2)OCC#N)OC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-14-11-16(3)18(12-15(14)2)19(23)7-5-17-6-8-20(25-10-9-22)21(13-17)24-4/h5-8,11-13H,10H2,1-4H3/b7-5+