ethyl (E)-3-[4-[2-(4-bromanylphenoxy)ethoxy]-3-chloranyl-5-ethoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(4-bromanylphenoxy)ethoxy]-3-chloranyl-5-ethoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(4-bromophenoxy)ethoxy]-3-chloro-5-ethoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C22H21BrClNO5 MolecularWeight: 494.76284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OCC)Cl)OCCOC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OCC)Cl)OCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H21BrClNO5/c1-3-27-20-13-15(11-16(14-25)22(26)28-4-2)12-19(24)21(20)30-10-9-29-18-7-5-17(23)6-8-18/h5-8,11-13H,3-4,9-10H2,1-2H3/b16-11+