1-[3-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]amino]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[2-nitro-4-(trifluoromethylsulfonyl)anilino]propyl]pyrrolidin-2-one CAS Name: 1-[3-[2-nitro-4-(trifluoromethylsulfonyl)anilino]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[2-nitro-4-(trifluoromethylsulfonyl)anilino]propyl]pyrrolidin-2-one Traditional Name: 1-[3-(2-nitro-4-triflyl-anilino)propyl]-2-pyrrolidone Formula: C14H16F3N3O5S MolecularWeight: 395.35415

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)CCCNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H16F3N3O5S/c15-14(16,17)26(24,25)10-4-5-11(12(9-10)20(22)23)18-6-2-8-19-7-1-3-13(19)21/h4-5,9,18H,1-3,6-8H2