(2-bromanyl-4,5-diethoxy-phenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N)Br)OCC

InChI

InChI=1S/C23H25BrN2O4/c1-5-28-21-12-18(20(24)13-22(21)29-6-2)15-30-23(27)17(14-25)11-16-7-9-19(10-8-16)26(3)4/h7-13H,5-6,15H2,1-4H3/b17-11+