4-[2-[3-bromanyl-4-(carboxymethyloxy)-5-methoxy-phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3-bromanyl-4-(carboxymethyloxy)-5-methoxy-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C19H14BrNO6 MolecularWeight: 432.22156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC(=O)O

InChI

InChI=1S/C19H14BrNO6/c1-26-16-8-11(7-15(20)18(16)27-10-17(22)23)6-14(9-21)12-2-4-13(5-3-12)19(24)25/h2-8H,10H2,1H3,(H,22,23)(H,24,25)