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

Systemtic Name: methyl (E)-3-[4-[2-(3-bromanylphenoxy)ethanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[2-(3-bromophenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[2-(3-bromophenoxy)-1-oxoethoxy]-3-methoxyphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[2-(3-bromophenoxy)acetyl]oxy-3-methoxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[2-(3-bromophenoxy)acetyl]oxy-3-methoxy-phenyl]-2-cyano-acrylic acid methyl ester Formula: C20H16BrNO6 MolecularWeight: 446.24814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)COC2=CC(=CC=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)COC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H16BrNO6/c1-25-18-9-13(8-14(11-22)20(24)26-2)6-7-17(18)28-19(23)12-27-16-5-3-4-15(21)10-16/h3-10H,12H2,1-2H3/b14-8+