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

Systemtic Name: 4-bromanyl-5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole Openeye Name: 4-bromo-5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]isoxazole CAS Name: 4-bromo-5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]isoxazole IUPAC Name: 4-bromo-5-cyclopropyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]methyl]-1,2-oxazole Traditional Name: 4-bromo-5-cyclopropyl-3-[2-nitro-4-(trifluoromethyl)benzyl]isoxazole Formula: C14H10BrF3N2O3 MolecularWeight: 391.14001

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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-])Br

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrF3N2O3/c15-12-10(19-23-13(12)7-1-2-7)5-8-3-4-9(14(16,17)18)6-11(8)20(21)22/h3-4,6-7H,1-2,5H2