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

Systemtic Name: 4-[2-[3-bromanyl-4-(carboxymethyloxy)-5-ethoxy-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-ethoxy-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-ethoxyphenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-ethoxyphenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-ethoxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C20H16BrNO6 MolecularWeight: 446.24814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Br)OCC(=O)O

InChI

InChI=1S/C20H16BrNO6/c1-2-27-17-9-12(8-16(21)19(17)28-11-18(23)24)7-15(10-22)13-3-5-14(6-4-13)20(25)26/h3-9H,2,11H2,1H3,(H,23,24)(H,25,26)