5-[[4-[2-(3-bromophenyl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[2-(3-bromophenyl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-(3-bromophenyl)-2-cyano-vinyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-(3-bromophenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-(3-bromophenyl)-2-cyanoethenyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[2-(3-bromophenyl)-2-cyano-vinyl]-2-ethoxy-phenoxy]methyl]-2-furoic acid Formula: C23H18BrNO5 MolecularWeight: 468.29672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)Br)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)Br)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C23H18BrNO5/c1-2-28-22-11-15(10-17(13-25)16-4-3-5-18(24)12-16)6-8-20(22)29-14-19-7-9-21(30-19)23(26)27/h3-12H,2,14H2,1H3,(H,26,27)