ethyl (E)-3-[3-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyloxy]phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-[2-(2-bromo-4-ethyl-phenoxy)acetyl]oxyphenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[2-(2-bromo-4-ethylphenoxy)-1-oxoethoxy]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[2-(2-bromo-4-ethylphenoxy)acetyl]oxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[2-(2-bromo-4-ethyl-phenoxy)acetyl]oxyphenyl]-2-cyano-acrylic acid ethyl ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OCC)Br

InChI

InChI=1S/C22H20BrNO5/c1-3-15-8-9-20(19(23)12-15)28-14-21(25)29-18-7-5-6-16(11-18)10-17(13-24)22(26)27-4-2/h5-12H,3-4,14H2,1-2H3/b17-10+