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

Systemtic Name: ethyl (E)-3-[4-[2-(3-bromanylphenoxy)ethanoyloxy]-3-methoxy-phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO6/c1-3-27-21(25)15(12-23)9-14-7-8-18(19(10-14)26-2)29-20(24)13-28-17-6-4-5-16(22)11-17/h4-11H,3,13H2,1-2H3/b15-9+