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

Systemtic Name: ethyl (E)-3-[4-[2-(4-bromanyl-3-methyl-phenoxy)ethanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[2-(4-bromo-3-methyl-phenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(4-bromo-3-methylphenoxy)-1-oxoethoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[2-(4-bromo-3-methylphenoxy)acetyl]oxy-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(4-bromo-3-methyl-phenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-acrylic acid ethyl ester Formula: C22H20BrNO6 MolecularWeight: 474.3013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)COC2=CC(=C(C=C2)Br)C)OC)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)COC2=CC(=C(C=C2)Br)C)OC)/C#N

InChI

InChI=1S/C22H20BrNO6/c1-4-28-22(26)16(12-24)10-15-5-8-19(20(11-15)27-3)30-21(25)13-29-17-6-7-18(23)14(2)9-17/h5-11H,4,13H2,1-3H3/b16-10+