2-[4-[(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)acryloyl]phenoxy]acetonitrile Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=CC(=O)C2=CC=C(C=C2)OCC#N)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/C(=O)C2=CC=C(C=C2)OCC#N)OCC

InChI

InChI=1S/C22H22ClNO4/c1-3-12-28-22-19(23)14-16(15-21(22)26-4-2)5-10-20(25)17-6-8-18(9-7-17)27-13-11-24/h5-10,14-15H,3-4,12-13H2,1-2H3/b10-5+