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

Systemtic Name: 4-[2-(5-bromanyl-2,3-dimethoxy-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(5-bromo-2,3-dimethoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(5-bromo-2,3-dimethoxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(5-bromo-2,3-dimethoxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(5-bromo-2,3-dimethoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C18H14BrNO4 MolecularWeight: 388.21206

Click to see the large picture

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)