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

Systemtic Name: methyl (E)-3-[3-[2-(2-bromanyl-4-propyl-phenoxy)ethanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-[2-(2-bromo-4-propyl-phenoxy)acetyl]oxyphenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[2-(2-bromo-4-propylphenoxy)-1-oxoethoxy]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[2-(2-bromo-4-propylphenoxy)acetyl]oxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[2-(2-bromo-4-propyl-phenoxy)acetyl]oxyphenyl]-2-cyano-acrylic acid methyl ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC)Br

InChI

InChI=1S/C22H20BrNO5/c1-3-5-15-8-9-20(19(23)12-15)28-14-21(25)29-18-7-4-6-16(11-18)10-17(13-24)22(26)27-2/h4,6-12H,3,5,14H2,1-2H3/b17-10+