2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-pyrrolidino-ethanone Formula: C13H12F3N3O5S MolecularWeight: 379.31169

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O5S/c14-13(15,16)8-5-9(18(21)22)12(10(6-8)19(23)24)25-7-11(20)17-3-1-2-4-17/h5-6H,1-4,7H2