1-[6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 1-[6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 1-[6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-[6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[6,7-dimethoxy-1-(6-nitro-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)OC

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C2C1C3=CC4=C(C=C3[N+](=O)[O-])OCO4)OC)OC

InChI

InChI=1S/C20H20N2O7/c1-11(23)21-5-4-12-6-16(26-2)17(27-3)7-13(12)20(21)14-8-18-19(29-10-28-18)9-15(14)22(24)25/h6-9,20H,4-5,10H2,1-3H3