(6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) N,N-diethylcarbamate

Systemtic Name: (6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) N,N-diethylcarbamate Openeye Name: (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) N,N-diethylcarbamate CAS Name: N,N-diethylcarbamic acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolinyl) ester IUPAC Name: (6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-yl) N,N-diethylcarbamate Traditional Name: N,N-diethylcarbamic acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)OC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)OC1=C(C2=CC(=C(C=C2C(=N1)C)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6/c1-6-19(7-2)17(21)26-16-15(20(22)23)12-9-14(25-5)13(24-4)8-11(12)10(3)18-16/h8-9H,6-7H2,1-5H3