5-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-ol

Systemtic Name: 5-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-ol Openeye Name: 5-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]isoxazol-4-ol CAS Name: 5-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-4-isoxazolol IUPAC Name: 5-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-ol Traditional Name: 5-methyl-3-[2-nitro-4-(trifluoromethyl)benzyl]isoxazol-4-ol Formula: C12H9F3N2O4 MolecularWeight: 302.20607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=NO1)CC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C12H9F3N2O4/c1-6-11(18)9(16-21-6)4-7-2-3-8(12(13,14)15)5-10(7)17(19)20/h2-3,5,18H,4H2,1H3