2,2,2-tris(fluoranyl)-1-(5-iodanyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2,2,2-tris(fluoranyl)-1-(5-iodanyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2,2,2-trifluoro-1-(5-iodo-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2,2,2-trifluoro-1-(5-iodo-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2,2,2-trifluoro-1-(5-iodo-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2,2,2-trifluoro-1-(5-iodo-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C11H8F3IN2O3 MolecularWeight: 400.0925

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=CC(=C21)I)[N+](=O)[O-])C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CC2=CC(=CC(=C21)I)[N+](=O)[O-])C(=O)C(F)(F)F

InChI

InChI=1S/C11H8F3IN2O3/c12-11(13,14)10(18)16-2-1-8-6(5-16)3-7(17(19)20)4-9(8)15/h3-4H,1-2,5H2