(7-butoxy-6-methoxy-1-methyl-4-nitro-isoquinolin-3-yl) ethanoate

Systemtic Name: (7-butoxy-6-methoxy-1-methyl-4-nitro-isoquinolin-3-yl) ethanoate Openeye Name: (7-butoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) acetate CAS Name: acetic acid (7-butoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolinyl) ester IUPAC Name: (7-butoxy-6-methoxy-1-methyl-4-nitroisoquinolin-3-yl) acetate Traditional Name: acetic acid (7-butoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C2C(=C1)C(=NC(=C2[N+](=O)[O-])OC(=O)C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C2C(=C1)C(=NC(=C2[N+](=O)[O-])OC(=O)C)C)OC

InChI

InChI=1S/C17H20N2O6/c1-5-6-7-24-15-8-12-10(2)18-17(25-11(3)20)16(19(21)22)13(12)9-14(15)23-4/h8-9H,5-7H2,1-4H3