1-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)-2,2,2-tris(fluoranyl)ethanone

Systemtic Name: 1-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)-2,2,2-tris(fluoranyl)ethanone Openeye Name: 1-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)-2,2,2-trifluoro-ethanone CAS Name: 1-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)-2,2,2-trifluoroethanone IUPAC Name: 1-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)-2,2,2-trifluoroethanone Traditional Name: 1-(3,3-dimethyl-7-nitro-1,4-dihydroisoquinolin-2-yl)-2,2,2-trifluoro-ethanone Formula: C13H13F3N2O3 MolecularWeight: 302.24913

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CN1C(=O)C(F)(F)F)C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(CN1C(=O)C(F)(F)F)C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H13F3N2O3/c1-12(2)6-8-3-4-10(18(20)21)5-9(8)7-17(12)11(19)13(14,15)16/h3-5H,6-7H2,1-2H3