[2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate

Systemtic Name: [2-[[4-chloranyl-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Openeye Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate Traditional Name: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propionic acid [2-[4-chloro-2-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C20H14ClF4N3O4 MolecularWeight: 471.789473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F)F

InChI

InChI=1S/C20H14ClF4N3O4/c21-12-3-6-15(14(9-12)20(23,24)25)26-16(29)10-31-18(30)8-7-17-27-19(28-32-17)11-1-4-13(22)5-2-11/h1-6,9H,7-8,10H2,(H,26,29)