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

Systemtic Name: 4-(chloromethyl)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2-oxazol-3-one Openeye Name: 4-(chloromethyl)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]isoxazol-3-one CAS Name: 4-(chloromethyl)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-3-isoxazolone IUPAC Name: 4-(chloromethyl)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-1,2-oxazol-3-one Traditional Name: 4-(chloromethyl)-5-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]-4-isoxazolin-3-one Formula: C12H8ClF3N2O4 MolecularWeight: 336.65113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(O1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CCl

Isomeric SMILES

CC1=C(C(=O)N(O1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CCl

InChI

InChI=1S/C12H8ClF3N2O4/c1-6-8(5-13)11(19)17(22-6)9-3-2-7(12(14,15)16)4-10(9)18(20)21/h2-4H,5H2,1H3