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

Systemtic Name: 4-[2-(2-bromanyl-5-ethoxy-4-prop-2-enoxy-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(4-allyloxy-2-bromo-5-ethoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(2-bromo-5-ethoxy-4-prop-2-enoxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(4-allyloxy-2-bromo-5-ethoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C21H18BrNO4 MolecularWeight: 428.27592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO4/c1-3-9-27-20-12-18(22)16(11-19(20)26-4-2)10-17(13-23)14-5-7-15(8-6-14)21(24)25/h3,5-8,10-12H,1,4,9H2,2H3,(H,24,25)