4-[2-[3-chloranyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-1-cyano-ethenyl]benzoic acid

Systemtic Name: 4-[2-[3-chloranyl-5-methoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]-1-cyano-ethenyl]benzoic acid Openeye Name: 4-[2-[4-(2-anilino-2-oxo-ethoxy)-3-chloro-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid CAS Name: 4-[2-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid IUPAC Name: 4-[2-[4-(2-anilino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]-1-cyanoethenyl]benzoic acid Traditional Name: 4-[2-[4-(2-anilino-2-keto-ethoxy)-3-chloro-5-methoxy-phenyl]-1-cyano-vinyl]benzoic acid Formula: C25H19ClN2O5 MolecularWeight: 462.88176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Cl)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)Cl)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C25H19ClN2O5/c1-32-22-13-16(11-19(14-27)17-7-9-18(10-8-17)25(30)31)12-21(26)24(22)33-15-23(29)28-20-5-3-2-4-6-20/h2-13H,15H2,1H3,(H,28,29)(H,30,31)