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

Systemtic Name: 5-[[4-[2-(3-bromophenyl)-2-cyano-ethenyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2-(3-bromophenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2-(3-bromophenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2-(3-bromophenyl)-2-cyanoethenyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[2-(3-bromophenyl)-2-cyano-vinyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C22H16BrNO5 MolecularWeight: 454.27014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)Br)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=CC(=CC=C2)Br)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C22H16BrNO5/c1-27-21-10-14(9-16(12-24)15-3-2-4-17(23)11-15)5-7-19(21)28-13-18-6-8-20(29-18)22(25)26/h2-11H,13H2,1H3,(H,25,26)