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

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole Openeye Name: 3-(4-chloro-3-nitro-phenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole CAS Name: 3-(4-chloro-3-nitrophenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole IUPAC Name: 3-(4-chloro-3-nitrophenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole Traditional Name: 3-(4-chloro-3-nitro-phenyl)-1-methyl-4,5-bis(trifluoromethyl)pyrazole Formula: C12H6ClF6N3O2 MolecularWeight: 373.638359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6ClF6N3O2/c1-21-10(12(17,18)19)8(11(14,15)16)9(20-21)5-2-3-6(13)7(4-5)22(23)24/h2-4H,1H3