(6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (6,7-dimethoxy-1-methyl-3-isoquinolyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (6,7-dimethoxy-1-methyl-3-isoquinolinyl) ester IUPAC Name: (6,7-dimethoxy-1-methylisoquinolin-3-yl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (6,7-dimethoxy-1-methyl-3-isoquinolyl) ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=CC(=C(C=C3C(=N2)C)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC3=CC(=C(C=C3C(=N2)C)OC)OC

InChI

InChI=1S/C19H18N2O7S/c1-11-5-6-14(21(22)23)9-18(11)29(24,25)28-19-8-13-7-16(26-3)17(27-4)10-15(13)12(2)20-19/h5-10H,1-4H3