methyl (E)-3-[3-[(E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]oxyphenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[3-[(E)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoyl]oxyphenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-[(E)-3-(3-bromo-4-methoxy-phenyl)prop-2-enoyl]oxyphenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[(E)-3-(3-bromo-4-methoxyphenyl)-1-oxoprop-2-enoxy]phenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-[(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]oxyphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[(E)-3-(3-bromo-4-methoxy-phenyl)acryloyl]oxyphenyl]-2-cyano-acrylic acid methyl ester Formula: C21H16BrNO5 MolecularWeight: 442.25944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC)Br

InChI

InChI=1S/C21H16BrNO5/c1-26-19-8-6-14(12-18(19)22)7-9-20(24)28-17-5-3-4-15(11-17)10-16(13-23)21(25)27-2/h3-12H,1-2H3/b9-7+,16-10+