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

Systemtic Name: 5-[5-[2-(4-carboxyphenyl)-2-cyano-ethenyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 5-[5-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoic acid CAS Name: 5-[5-[2-(4-carboxyphenyl)-2-cyanoethenyl]-2-furanyl]-2-chlorobenzoic acid IUPAC Name: 5-[5-[2-(4-carboxyphenyl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid Traditional Name: 5-[5-[2-(4-carboxyphenyl)-2-cyano-vinyl]-2-furyl]-2-chloro-benzoic acid Formula: C21H12ClNO5 MolecularWeight: 393.77668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)O)C#N)C(=O)O

InChI

InChI=1S/C21H12ClNO5/c22-18-7-5-14(10-17(18)21(26)27)19-8-6-16(28-19)9-15(11-23)12-1-3-13(4-2-12)20(24)25/h1-10H,(H,24,25)(H,26,27)