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

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

Systemtic Name:(7-ethoxy-6-methoxy-1-methyl-4-nitro-isoquinolin-3-yl) benzoate
Openeye Name:(7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) benzoate
CAS Name:benzoic acid (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolinyl) ester
IUPAC Name:(7-ethoxy-6-methoxy-1-methyl-4-nitroisoquinolin-3-yl) benzoate
Traditional Name:benzoic acid (7-ethoxy-6-methoxy-1-methyl-4-nitro-3-isoquinolyl) ester
Formula: C20H18N2O6
MolecularWeight: 382.36672
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC(=C2[N+](=O)[O-])OC(=O)C3=CC=CC=C3)C)OC


Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC(=C2[N+](=O)[O-])OC(=O)C3=CC=CC=C3)C)OC


InChI

InChI=1S/C20H18N2O6/c1-4-27-17-10-14-12(2)21-19(28-20(23)13-8-6-5-7-9-13)18(22(24)25)15(14)11-16(17)26-3/h5-11H,4H2,1-3H3


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