(2E)-N-butyl-5-nitro-2-(trifluoromethylimino)-1,3-benzoxazole-3-carboxamide

Systemtic Name: (2E)-N-butyl-5-nitro-2-(trifluoromethylimino)-1,3-benzoxazole-3-carboxamide Openeye Name: (2E)-N-butyl-5-nitro-2-(trifluoromethylimino)-1,3-benzoxazole-3-carboxamide CAS Name: (2E)-N-butyl-5-nitro-2-(trifluoromethylimino)-1,3-benzoxazole-3-carboxamide IUPAC Name: (2E)-N-butyl-5-nitro-2-(trifluoromethylimino)-1,3-benzoxazole-3-carboxamide Traditional Name: (2E)-N-butyl-5-nitro-2-(trifluoromethylimino)-1,3-benzoxazole-3-carboxamide Formula: C13H13F3N4O4 MolecularWeight: 346.26193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=NC(F)(F)F

Isomeric SMILES

CCCCNC(=O)N\1C2=C(C=CC(=C2)[N+](=O)[O-])O/C1=N/C(F)(F)F

InChI

InChI=1S/C13H13F3N4O4/c1-2-3-6-17-11(21)19-9-7-8(20(22)23)4-5-10(9)24-12(19)18-13(14,15)16/h4-5,7H,2-3,6H2,1H3,(H,17,21)/b18-12+