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

Systemtic Name: 1-(4,4-dimethyl-7-nitro-1,3-dihydroisoquinolin-2-yl)ethanone Openeye Name: 1-(4,4-dimethyl-7-nitro-1,3-dihydroisoquinolin-2-yl)ethanone CAS Name: 1-(4,4-dimethyl-7-nitro-1,3-dihydroisoquinolin-2-yl)ethanone IUPAC Name: 1-(4,4-dimethyl-7-nitro-1,3-dihydroisoquinolin-2-yl)ethanone Traditional Name: 1-(4,4-dimethyl-7-nitro-1,3-dihydroisoquinolin-2-yl)ethanone Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=C(C=CC(=C2)[N+](=O)[O-])C(C1)(C)C

Isomeric SMILES

CC(=O)N1CC2=C(C=CC(=C2)[N+](=O)[O-])C(C1)(C)C

InChI

InChI=1S/C13H16N2O3/c1-9(16)14-7-10-6-11(15(17)18)4-5-12(10)13(2,3)8-14/h4-6H,7-8H2,1-3H3