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

Systemtic Name: 4-[2-[5-bromanyl-2-(carboxymethyloxy)phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[5-bromo-2-(carboxymethyloxy)phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[5-bromo-2-(carboxymethyloxy)phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[5-bromo-2-(carboxymethyloxy)phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[5-bromo-2-(carboxymethyloxy)phenyl]-1-cyano-vinyl]benzoic acid Formula: C18H12BrNO5 MolecularWeight: 402.19558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CC2=C(C=CC(=C2)Br)OCC(=O)O)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=CC2=C(C=CC(=C2)Br)OCC(=O)O)C#N)C(=O)O

InChI

InChI=1S/C18H12BrNO5/c19-15-5-6-16(25-10-17(21)22)13(8-15)7-14(9-20)11-1-3-12(4-2-11)18(23)24/h1-8H,10H2,(H,21,22)(H,23,24)