1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

InChI

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