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

Systemtic Name: 5-tert-butyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-one Openeye Name: 5-tert-butyl-2-[4-nitro-2-(trifluoromethyl)phenyl]isoxazol-3-one CAS Name: 5-tert-butyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-3-isoxazolone IUPAC Name: 5-tert-butyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-one Traditional Name: 5-tert-butyl-2-[4-nitro-2-(trifluoromethyl)phenyl]-4-isoxazolin-3-one Formula: C14H13F3N2O4 MolecularWeight: 330.25923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13F3N2O4/c1-13(2,3)11-7-12(20)18(23-11)10-5-4-8(19(21)22)6-9(10)14(15,16)17/h4-7H,1-3H3