(3-bromophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (3-bromophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (3-bromophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (3-bromobenzyl) ester Formula: C19H16BrNO4 MolecularWeight: 402.23864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=CC(=CC=C2)Br)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCC2=CC(=CC=C2)Br)OCC#N

InChI

InChI=1S/C19H16BrNO4/c1-23-18-12-14(5-7-17(18)24-10-9-21)6-8-19(22)25-13-15-3-2-4-16(20)11-15/h2-8,11-12H,10,13H2,1H3/b8-6+