3-(4-chloranyl-2-fluoranyl-5-nitro-phenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole

Systemtic Name: 3-(4-chloranyl-2-fluoranyl-5-nitro-phenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole Openeye Name: 3-(4-chloro-2-fluoro-5-nitro-phenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole CAS Name: 3-(4-chloro-2-fluoro-5-nitrophenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole IUPAC Name: 3-(4-chloro-2-fluoro-5-nitrophenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole Traditional Name: 3-(4-chloro-2-fluoro-5-nitro-phenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole Formula: C12H5ClF7N3O2 MolecularWeight: 391.628822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H5ClF7N3O2/c1-22-10(12(18,19)20)8(11(15,16)17)9(21-22)4-2-7(23(24)25)5(13)3-6(4)14/h2-3H,1H3