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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrNO5/c1-14(2)19-11-17(23)7-8-20(19)28-13-21(25)29-18-6-4-5-15(10-18)9-16(12-24)22(26)27-3/h4-11,14H,13H2,1-3H3/b16-9+