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

Systemtic Name: ethyl (E)-3-[3-[2-(2-bromanyl-4-methyl-phenoxy)ethanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[3-[2-(2-bromo-4-methyl-phenoxy)acetyl]oxyphenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[2-(2-bromo-4-methylphenoxy)-1-oxoethoxy]phenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-[2-(2-bromo-4-methylphenoxy)acetyl]oxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[2-(2-bromo-4-methyl-phenoxy)acetyl]oxyphenyl]-2-cyano-acrylic acid ethyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO5/c1-3-26-21(25)16(12-23)10-15-5-4-6-17(11-15)28-20(24)13-27-19-8-7-14(2)9-18(19)22/h4-11H,3,13H2,1-2H3/b16-10+