2-[bis(fluoranyl)methyl]-N-butan-2-yl-7-nitro-5-(trifluoromethyl)-1H-benzimidazol-4-amine

Systemtic Name: 2-[bis(fluoranyl)methyl]-N-butan-2-yl-7-nitro-5-(trifluoromethyl)-1H-benzimidazol-4-amine Openeye Name: 2-(difluoromethyl)-7-nitro-N-sec-butyl-5-(trifluoromethyl)-1H-benzimidazol-4-amine CAS Name: N-butan-2-yl-2-(difluoromethyl)-7-nitro-5-(trifluoromethyl)-1H-benzimidazol-4-amine IUPAC Name: N-butan-2-yl-2-(difluoromethyl)-7-nitro-5-(trifluoromethyl)-1H-benzimidazol-4-amine Traditional Name: [2-(difluoromethyl)-7-nitro-5-(trifluoromethyl)-1H-benzimidazol-4-yl]-sec-butyl-amine Formula: C13H13F5N4O2 MolecularWeight: 352.259936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=N2)C(F)F

Isomeric SMILES

CCC(C)NC1=C2C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=N2)C(F)F

InChI

InChI=1S/C13H13F5N4O2/c1-3-5(2)19-8-6(13(16,17)18)4-7(22(23)24)9-10(8)21-12(20-9)11(14)15/h4-5,11,19H,3H2,1-2H3,(H,20,21)