methyl (E)-3-[4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]oxy-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-acrylic acid methyl ester Formula: C22H20BrNO6 MolecularWeight: 474.3013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)OC)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OC)OC)C)Br

InChI

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