(7-ethoxy-6-methoxy-1-methyl-4-nitro-isoquinolin-3-yl) propanoate

Systemtic Name: (7-ethoxy-6-methoxy-1-methyl-4-nitro-isoquinolin-3-yl) propanoate Openeye Name: (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) propanoate CAS Name: propanoic acid (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolinyl) ester IUPAC Name: (7-ethoxy-6-methoxy-1-methyl-4-nitroisoquinolin-3-yl) propanoate Traditional Name: propionic acid (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) ester Formula: C16H18N2O6 MolecularWeight: 334.32392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-5-14(19)24-16-15(18(20)21)11-8-12(22-4)13(23-6-2)7-10(11)9(3)17-16/h7-8H,5-6H2,1-4H3