4,5-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-pyrazole

Systemtic Name: 4,5-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-pyrazole Openeye Name: 4,5-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-pyrazole CAS Name: 4,5-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-pyrazole IUPAC Name: 4,5-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-pyrazole Traditional Name: 4,5-dimethyl-3-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-pyrazole Formula: C12H10F3N3O3 MolecularWeight: 301.22131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN=C1OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NN=C1OC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C12H10F3N3O3/c1-6-7(2)16-17-11(6)21-10-4-3-8(12(13,14)15)5-9(10)18(19)20/h3-5H,1-2H3,(H,16,17)