2,2,2-tris(fluoranyl)-N-(2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-5-yl)ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-(2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-5-yl)ethanamide Openeye Name: 2,2,2-trifluoro-N-(2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide CAS Name: 2,2,2-trifluoro-N-(2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide IUPAC Name: 2,2,2-trifluoro-N-(2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide Traditional Name: 2,2,2-trifluoro-N-(2-methyl-7-nitro-3,4-dihydro-1H-isoquinolin-5-yl)acetamide Formula: C12H12F3N3O3 MolecularWeight: 303.23719

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=C(C=C2C1)[N+](=O)[O-])NC(=O)C(F)(F)F

Isomeric SMILES

CN1CCC2=C(C=C(C=C2C1)[N+](=O)[O-])NC(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3N3O3/c1-17-3-2-9-7(6-17)4-8(18(20)21)5-10(9)16-11(19)12(13,14)15/h4-5H,2-3,6H2,1H3,(H,16,19)