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

Systemtic Name: 5-tert-butyl-3-[4-chloranyl-2,6-bis(fluoranyl)-3-nitro-phenyl]-1,3,4-oxadiazol-2-one Openeye Name: 5-tert-butyl-3-(4-chloro-2,6-difluoro-3-nitro-phenyl)-1,3,4-oxadiazol-2-one CAS Name: 5-tert-butyl-3-(4-chloro-2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-tert-butyl-3-(4-chloro-2,6-difluoro-3-nitrophenyl)-1,3,4-oxadiazol-2-one Traditional Name: 5-tert-butyl-3-(4-chloro-2,6-difluoro-3-nitro-phenyl)-1,3,4-oxadiazol-2-one Formula: C12H10ClF2N3O4 MolecularWeight: 333.675306

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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-])F

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClF2N3O4/c1-12(2,3)10-16-17(11(19)22-10)9-6(14)4-5(13)8(7(9)15)18(20)21/h4H,1-3H3