1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[6,7-dimethoxy-1-[(4-nitrophenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C20H22N2O6 MolecularWeight: 386.39848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H22N2O6/c1-13(23)21-9-8-14-10-19(26-2)20(27-3)11-17(14)18(21)12-28-16-6-4-15(5-7-16)22(24)25/h4-7,10-11,18H,8-9,12H2,1-3H3