phosphonooxymethyl 4-chloranyl-2-[[2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]benzoate

Systemtic Name: phosphonooxymethyl 4-chloranyl-2-[[2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]benzoate Openeye Name: phosphonooxymethyl 4-chloro-2-[[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]benzoate CAS Name: 4-chloro-2-[[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]benzoic acid phosphonooxymethyl ester IUPAC Name: phosphonooxymethyl 4-chloro-2-[[2-oxo-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]benzoate Traditional Name: 4-chloro-2-[[2-keto-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-3-yl]methyl]benzoic acid phosphonooxymethyl ester Formula: C18H13ClF3N2O8P MolecularWeight: 508.726391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)C(=O)OCOP(=O)(O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)C(=O)OCOP(=O)(O)O)C(F)(F)F

InChI

InChI=1S/C18H13ClF3N2O8P/c19-13-5-6-14(16(25)30-9-31-33(27,28)29)11(7-13)8-24-17(26)32-15(23-24)10-1-3-12(4-2-10)18(20,21)22/h1-7H,8-9H2,(H2,27,28,29)