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

Systemtic Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Openeye Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one CAS Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one IUPAC Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Traditional Name: 5-tert-butyl-3-[2-nitro-4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F3N3O4/c1-12(2,3)10-17-18(11(20)23-10)8-5-4-7(13(14,15)16)6-9(8)19(21)22/h4-6H,1-3H3