4-[(E)-2-(5-bromanyl-2,3-dimethoxy-phenyl)-1-cyano-ethenyl]benzoate

Systemtic Name: 4-[(E)-2-(5-bromanyl-2,3-dimethoxy-phenyl)-1-cyano-ethenyl]benzoate Openeye Name: 4-[(E)-2-(5-bromo-2,3-dimethoxy-phenyl)-1-cyano-vinyl]benzoate CAS Name: 4-[(E)-2-(5-bromo-2,3-dimethoxyphenyl)-1-cyanoethenyl]benzoate IUPAC Name: 4-[(E)-2-(5-bromo-2,3-dimethoxyphenyl)-1-cyanoethenyl]benzoate Traditional Name: 4-[(E)-2-(5-bromo-2,3-dimethoxy-phenyl)-1-cyano-vinyl]benzoate Formula: C18H13BrNO4- MolecularWeight: 387.20412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=C(C#N)C2=CC=C(C=C2)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)/C=C(/C#N)\C2=CC=C(C=C2)C(=O)[O-])OC

InChI

InChI=1S/C18H14BrNO4/c1-23-16-9-15(19)8-13(17(16)24-2)7-14(10-20)11-3-5-12(6-4-11)18(21)22/h3-9H,1-2H3,(H,21,22)/p-1/b14-7-