N-(2-ethanoyl-6,8-dinitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-tris(fluoranyl)ethanamide

Systemtic Name: N-(2-ethanoyl-6,8-dinitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-(2-acetyl-6,8-dinitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoro-acetamide CAS Name: N-(2-acetyl-6,8-dinitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoroacetamide IUPAC Name: N-(2-acetyl-6,8-dinitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoroacetamide Traditional Name: N-(2-acetyl-6,8-dinitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoro-acetamide Formula: C13H11F3N4O6 MolecularWeight: 376.24485

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C(=C2C1)[N+](=O)[O-])NC(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C(=C2C1)[N+](=O)[O-])NC(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11F3N4O6/c1-6(21)18-3-2-7-4-9(19(23)24)10(17-12(22)13(14,15)16)11(20(25)26)8(7)5-18/h4H,2-3,5H2,1H3,(H,17,22)