[4-[(Z)-2-cyanoethenyl]-2-methoxy-phenyl] 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: [4-[(Z)-2-cyanoethenyl]-2-methoxy-phenyl] 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: [4-[(Z)-2-cyanovinyl]-2-methoxy-phenyl] 3-(2-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid [4-[(Z)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyanoethenyl]-2-methoxyphenyl] 3-(2-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)propionic acid [4-[(Z)-2-cyanovinyl]-2-methoxy-phenyl] ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC#N)OC(=O)CCC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\C#N)OC(=O)CCC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C21H20BrNO5/c1-25-18-11-14(5-4-10-23)6-8-17(18)28-21(24)9-7-15-12-19(26-2)20(27-3)13-16(15)22/h4-6,8,11-13H,7,9H2,1-3H3/b5-4-