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

Systemtic Name: 1-(5-chloranyl-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-(5-chloro-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoro-ethanone CAS Name: 1-(5-chloro-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone IUPAC Name: 1-(5-chloro-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone Traditional Name: 1-(5-chloro-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoro-ethanone Formula: C11H8ClF3N2O3 MolecularWeight: 308.64103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8ClF3N2O3/c12-9-4-7(17(19)20)3-6-5-16(2-1-8(6)9)10(18)11(13,14)15/h3-4H,1-2,5H2