3-ethyl-2-(3-nitrophenyl)-6-(trifluoromethylsulfonyl)-1,2-dihydrobenzimidazole

Systemtic Name: 3-ethyl-2-(3-nitrophenyl)-6-(trifluoromethylsulfonyl)-1,2-dihydrobenzimidazole Openeye Name: 3-ethyl-2-(3-nitrophenyl)-6-(trifluoromethylsulfonyl)-1,2-dihydrobenzimidazole CAS Name: 3-ethyl-2-(3-nitrophenyl)-6-(trifluoromethylsulfonyl)-1,2-dihydrobenzimidazole IUPAC Name: 3-ethyl-2-(3-nitrophenyl)-6-(trifluoromethylsulfonyl)-1,2-dihydrobenzimidazole Traditional Name: 3-ethyl-2-(3-nitrophenyl)-6-triflyl-1,2-dihydrobenzimidazole Formula: C16H14F3N3O4S MolecularWeight: 401.36027

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(NC2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(NC2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14F3N3O4S/c1-2-21-14-7-6-12(27(25,26)16(17,18)19)9-13(14)20-15(21)10-4-3-5-11(8-10)22(23)24/h3-9,15,20H,2H2,1H3