4-[2-(3-chloranyl-4,5-diethoxy-phenyl)-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-(3-chloranyl-4,5-diethoxy-phenyl)-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-(3-chloro-4,5-diethoxy-phenyl)-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-(3-chloro-4,5-diethoxyphenyl)-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-(3-chloro-4,5-diethoxyphenyl)-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-(3-chloro-4,5-diethoxy-phenyl)-1-cyano-vinyl]benzoic acid Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClNO4/c1-3-25-18-11-13(10-17(21)19(18)26-4-2)9-16(12-22)14-5-7-15(8-6-14)20(23)24/h5-11H,3-4H2,1-2H3,(H,23,24)