N-(butylcarbamoyl)-2-nitro-3,4-bis(oxidanyl)-6-(trifluoromethyl)benzamide

Systemtic Name: N-(butylcarbamoyl)-2-nitro-3,4-bis(oxidanyl)-6-(trifluoromethyl)benzamide Openeye Name: N-(butylcarbamoyl)-3,4-dihydroxy-2-nitro-6-(trifluoromethyl)benzamide CAS Name: N-[butylamino(oxo)methyl]-3,4-dihydroxy-2-nitro-6-(trifluoromethyl)benzamide IUPAC Name: N-(butylcarbamoyl)-3,4-dihydroxy-2-nitro-6-(trifluoromethyl)benzamide Traditional Name: N-(butylcarbamoyl)-3,4-dihydroxy-2-nitro-6-(trifluoromethyl)benzamide Formula: C13H14F3N3O6 MolecularWeight: 365.26197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C1=C(C(=C(C=C1C(F)(F)F)O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC(=O)C1=C(C(=C(C=C1C(F)(F)F)O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14F3N3O6/c1-2-3-4-17-12(23)18-11(22)8-6(13(14,15)16)5-7(20)10(21)9(8)19(24)25/h5,20-21H,2-4H2,1H3,(H2,17,18,22,23)