(6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 4-nitrobenzoate

Systemtic Name: (6,7-dimethoxy-1-methyl-isoquinolin-3-yl) 4-nitrobenzoate Openeye Name: (6,7-dimethoxy-1-methyl-3-isoquinolyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6,7-dimethoxy-1-methyl-3-isoquinolinyl) ester IUPAC Name: (6,7-dimethoxy-1-methylisoquinolin-3-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6,7-dimethoxy-1-methyl-3-isoquinolyl) ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=CC(=C(C=C12)OC)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC2=CC(=C(C=C12)OC)OC)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6/c1-11-15-10-17(26-3)16(25-2)8-13(15)9-18(20-11)27-19(22)12-4-6-14(7-5-12)21(23)24/h4-10H,1-3H3