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

Systemtic Name: 5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-ol Openeye Name: 5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]isoxazol-4-ol CAS Name: 5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-4-isoxazolol IUPAC Name: 5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-ol Traditional Name: 5-cyclopropyl-3-[2-nitro-4-(trifluoromethyl)benzyl]isoxazol-4-ol Formula: C14H11F3N2O4 MolecularWeight: 328.24335

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=NO2)CC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

Isomeric SMILES

C1CC1C2=C(C(=NO2)CC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])O

InChI

InChI=1S/C14H11F3N2O4/c15-14(16,17)9-4-3-8(11(6-9)19(21)22)5-10-12(20)13(23-18-10)7-1-2-7/h3-4,6-7,20H,1-2,5H2