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

Systemtic Name: methyl (E)-3-[3-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]oxyphenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethoxy]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[2-(4-bromo-2-tert-butylphenoxy)acetyl]oxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]oxyphenyl]-2-cyano-acrylic acid methyl ester Formula: C23H22BrNO5 MolecularWeight: 472.32848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO5/c1-23(2,3)19-12-17(24)8-9-20(19)29-14-21(26)30-18-7-5-6-15(11-18)10-16(13-25)22(27)28-4/h5-12H,14H2,1-4H3/b16-10+