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

Systemtic Name: 5-tert-butyl-3-[2-chloranyl-6-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Openeye Name: 5-tert-butyl-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one CAS Name: 5-tert-butyl-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 5-tert-butyl-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Traditional Name: 5-tert-butyl-3-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Formula: C13H11ClF3N3O4 MolecularWeight: 365.69235

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=O)O1)C2=C(C=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClF3N3O4/c1-12(2,3)10-18-19(11(21)24-10)9-7(14)4-6(13(15,16)17)5-8(9)20(22)23/h4-5H,1-3H3