4-[2-[3-bromanyl-4-(carboxymethyloxy)phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-4-(carboxymethyloxy)phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-4-(carboxymethyloxy)phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-4-(carboxymethyloxy)phenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-4-(carboxymethyloxy)phenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-4-(carboxymethyloxy)phenyl]-1-cyano-vinyl]benzoic acid Formula: C18H12BrNO5 MolecularWeight: 402.19558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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