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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitrophenoxy)ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methoxy-2-nitro-phenoxy)ethanone Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-26-15-4-5-17(16(10-15)22(24)25)29-12-20(23)21-7-6-13-8-18(27-2)19(28-3)9-14(13)11-21/h4-5,8-10H,6-7,11-12H2,1-3H3