(3-bromanyl-4-methoxy-phenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: (3-bromo-4-methoxy-phenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid (3-bromo-4-methoxyphenyl)methyl ester IUPAC Name: (3-bromo-4-methoxyphenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid (3-bromo-4-methoxy-benzyl) ester Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C20H19BrN2O3/c1-23(2)17-7-4-14(5-8-17)10-16(12-22)20(24)26-13-15-6-9-19(25-3)18(21)11-15/h4-11H,13H2,1-3H3/b16-10+