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

Systemtic Name: 4-[[4-bromanyl-2-[2-(2-chlorophenyl)-2-cyano-ethenyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-bromo-2-[2-(2-chlorophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-bromo-2-[2-(2-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-bromo-2-[2-(2-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-bromo-2-[2-(2-chlorophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid Formula: C23H15BrClNO3 MolecularWeight: 468.7271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=C(C=C3)C(=O)O)C#N)Cl

InChI

InChI=1S/C23H15BrClNO3/c24-19-9-10-22(29-14-15-5-7-16(8-6-15)23(27)28)17(12-19)11-18(13-26)20-3-1-2-4-21(20)25/h1-12H,14H2,(H,27,28)