4-[5-[2-(4-carboxyphenyl)-2-cyano-ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-(4-carboxyphenyl)-2-cyano-ethenyl]furan-2-yl]benzoic acid Openeye Name: 4-[5-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-furyl]benzoic acid CAS Name: 4-[5-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-furanyl]benzoic acid IUPAC Name: 4-[5-[2-(4-carboxyphenyl)-2-cyanoethenyl]furan-2-yl]benzoic acid Traditional Name: 4-[5-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-furyl]benzoic acid Formula: C21H13NO5 MolecularWeight: 359.33162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H13NO5/c22-12-17(13-1-5-15(6-2-13)20(23)24)11-18-9-10-19(27-18)14-3-7-16(8-4-14)21(25)26/h1-11H,(H,23,24)(H,25,26)