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

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

Systemtic Name:(6,7-dimethoxy-1-methyl-4-nitro-isoquinolin-3-yl) butanoate
Openeye Name:(6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) butanoate
CAS Name:butanoic acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolinyl) ester
IUPAC Name:(6,7-dimethoxy-1-methyl-4-nitroisoquinolin-3-yl) butanoate
Traditional Name:butyric acid (6,7-dimethoxy-1-methyl-4-nitro-3-isoquinolyl) ester
Formula: C16H18N2O6
MolecularWeight: 334.32392
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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