5-tert-butyl-3-(4-chloranyl-6-fluoranyl-3-nitro-2-oxidanyl-phenyl)-1,3,4-oxadiazol-2-one

Systemtic Name: 5-tert-butyl-3-(4-chloranyl-6-fluoranyl-3-nitro-2-oxidanyl-phenyl)-1,3,4-oxadiazol-2-one Openeye Name: 5-tert-butyl-3-(4-chloro-6-fluoro-2-hydroxy-3-nitro-phenyl)-1,3,4-oxadiazol-2-one CAS Name: 5-tert-butyl-3-(4-chloro-6-fluoro-2-hydroxy-3-nitrophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-tert-butyl-3-(4-chloro-6-fluoro-2-hydroxy-3-nitrophenyl)-1,3,4-oxadiazol-2-one Traditional Name: 5-tert-butyl-3-(4-chloro-6-fluoro-2-hydroxy-3-nitro-phenyl)-1,3,4-oxadiazol-2-one Formula: C12H11ClFN3O5 MolecularWeight: 331.684243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)O1)C2=C(C(=C(C=C2F)Cl)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=C(C(=C(C=C2F)Cl)[N+](=O)[O-])O

InChI

InChI=1S/C12H11ClFN3O5/c1-12(2,3)10-15-16(11(19)22-10)8-6(14)4-5(13)7(9(8)18)17(20)21/h4,18H,1-3H3