4-[[4-bromanyl-2-[2-(4-carboxyphenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-bromanyl-2-[2-(4-carboxyphenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-[2-(4-carboxyphenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[2-(4-carboxyphenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[2-(4-carboxyphenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-[2-(4-carboxyphenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid Formula: C24H16BrNO5 MolecularWeight: 478.29154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C24H16BrNO5/c25-21-9-10-22(31-14-15-1-3-17(4-2-15)23(27)28)19(12-21)11-20(13-26)16-5-7-18(8-6-16)24(29)30/h1-12H,14H2,(H,27,28)(H,29,30)