5-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1H-pyrazole

Systemtic Name: 5-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1H-pyrazole Openeye Name: 5-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1H-pyrazole CAS Name: 5-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]sulfonyl-1H-pyrazole IUPAC Name: 5-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]sulfonyl-1H-pyrazole Traditional Name: 5-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]sulfonyl-1H-pyrazole Formula: C16H9ClF3N3O5S MolecularWeight: 447.77297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=NN3

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=NN3

InChI

InChI=1S/C16H9ClF3N3O5S/c17-11-7-9(16(18,19)20)1-4-13(11)28-10-2-3-12(23(24)25)14(8-10)29(26,27)15-5-6-21-22-15/h1-8H,(H,21,22)