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

Systemtic Name: N-(2-ethanoyl-8-nitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-tris(fluoranyl)ethanamide Openeye Name: N-(2-acetyl-8-nitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoro-acetamide CAS Name: N-(2-acetyl-8-nitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoroacetamide IUPAC Name: N-(2-acetyl-8-nitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoroacetamide Traditional Name: N-(2-acetyl-8-nitro-3,4-dihydro-1H-isoquinolin-7-yl)-2,2,2-trifluoro-acetamide Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C(=C(C=C2)NC(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C(=C(C=C2)NC(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O4/c1-7(20)18-5-4-8-2-3-10(17-12(21)13(14,15)16)11(19(22)23)9(8)6-18/h2-3H,4-6H2,1H3,(H,17,21)