N-(2-ethyl-3,5-dinitro-6-propan-2-yl-phenyl)-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-(2-ethyl-3,5-dinitro-6-propan-2-yl-phenyl)-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-(2-ethyl-6-isopropyl-3,5-dinitro-phenyl)-2,2,2-trifluoro-acetamide CAS Name: N-(2-ethyl-3,5-dinitro-6-propan-2-ylphenyl)-2,2,2-trifluoroacetamide IUPAC Name: N-(2-ethyl-3,5-dinitro-6-propan-2-ylphenyl)-2,2,2-trifluoroacetamide Traditional Name: N-(2-ethyl-6-isopropyl-3,5-dinitro-phenyl)-2,2,2-trifluoro-acetamide Formula: C13H14F3N3O5 MolecularWeight: 349.26257

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)C)NC(=O)C(F)(F)F

Isomeric SMILES

CCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(C)C)NC(=O)C(F)(F)F

InChI

InChI=1S/C13H14F3N3O5/c1-4-7-8(18(21)22)5-9(19(23)24)10(6(2)3)11(7)17-12(20)13(14,15)16/h5-6H,4H2,1-3H3,(H,17,20)