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

Systemtic Name: methyl (E)-3-[3-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoyloxy]phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-[2-(2-bromo-4-phenyl-phenoxy)acetyl]oxyphenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[2-(2-bromo-4-phenylphenoxy)-1-oxoethoxy]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[2-(2-bromo-4-phenylphenoxy)acetyl]oxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[2-(2-bromo-4-phenyl-phenoxy)acetyl]oxyphenyl]-2-cyano-acrylic acid methyl ester Formula: C25H18BrNO5 MolecularWeight: 492.31812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=CC=C1)OC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)C#N

Isomeric SMILES

COC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)/C#N

InChI

InChI=1S/C25H18BrNO5/c1-30-25(29)20(15-27)12-17-6-5-9-21(13-17)32-24(28)16-31-23-11-10-19(14-22(23)26)18-7-3-2-4-8-18/h2-14H,16H2,1H3/b20-12+