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

Systemtic Name: (6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) ethanoate Openeye Name: (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) acetate CAS Name: acetic acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolinyl) ester IUPAC Name: (6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-yl) acetate Traditional Name: acetic acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=CC(=C(C=C12)OC)OC)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CC1=NC(=C(C2=CC(=C(C=C12)OC)OC)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C14H14N2O6/c1-7-9-5-11(20-3)12(21-4)6-10(9)13(16(18)19)14(15-7)22-8(2)17/h5-6H,1-4H3