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

Systemtic Name: 4-[2-[3-bromanyl-4-(carboxymethyloxy)-5-chloranyl-phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-chloro-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-chlorophenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-chlorophenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[3-bromo-4-(carboxymethyloxy)-5-chloro-phenyl]-1-cyano-vinyl]benzoic acid Formula: C18H11BrClNO5 MolecularWeight: 436.64064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11BrClNO5/c19-14-6-10(7-15(20)17(14)26-9-16(22)23)5-13(8-21)11-1-3-12(4-2-11)18(24)25/h1-7H,9H2,(H,22,23)(H,24,25)