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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC

InChI

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