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

Systemtic Name: 4-[2-(5-bromanyl-2,4-diethoxy-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(5-bromo-2,4-diethoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(5-bromo-2,4-diethoxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(5-bromo-2,4-diethoxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(5-bromo-2,4-diethoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C20H18BrNO4 MolecularWeight: 416.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC

InChI

InChI=1S/C20H18BrNO4/c1-3-25-18-11-19(26-4-2)17(21)10-15(18)9-16(12-22)13-5-7-14(8-6-13)20(23)24/h5-11H,3-4H2,1-2H3,(H,23,24)