4-bromanyl-3-(2-fluoranyl-5-methoxy-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole

Systemtic Name: 4-bromanyl-3-(2-fluoranyl-5-methoxy-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole Openeye Name: 4-bromo-3-(2-fluoro-5-methoxy-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole CAS Name: 4-bromo-3-(2-fluoro-5-methoxy-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole IUPAC Name: 4-bromo-3-(2-fluoro-5-methoxy-4-nitrophenyl)-1-methyl-5-(trifluoromethyl)pyrazole Traditional Name: 4-bromo-3-(2-fluoro-5-methoxy-4-nitro-phenyl)-1-methyl-5-(trifluoromethyl)pyrazole Formula: C12H8BrF4N3O3 MolecularWeight: 398.107833

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC(=C(C=C2F)[N+](=O)[O-])OC)Br)C(F)(F)F

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC(=C(C=C2F)[N+](=O)[O-])OC)Br)C(F)(F)F

InChI

InChI=1S/C12H8BrF4N3O3/c1-19-11(12(15,16)17)9(13)10(18-19)5-3-8(23-2)7(20(21)22)4-6(5)14/h3-4H,1-2H3