(2-bromanyl-4,5-dimethoxy-phenyl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C20H18BrNO4/c1-13-4-6-14(7-5-13)8-15(11-22)20(23)26-12-16-9-18(24-2)19(25-3)10-17(16)21/h4-10H,12H2,1-3H3/b15-8+