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ethyl 2-(5-nitroisoquinolin-2-ium-2-yl)ethanoate

ethyl 2-(5-nitroisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name:ethyl 2-(5-nitroisoquinolin-2-ium-2-yl)ethanoate
Openeye Name:ethyl 2-(5-nitroisoquinolin-2-ium-2-yl)acetate
CAS Name:2-(5-nitro-2-isoquinolin-2-iumyl)acetic acid ethyl ester
IUPAC Name:ethyl 2-(5-nitroisoquinolin-2-ium-2-yl)acetate
Traditional Name:2-(5-nitroisoquinolin-2-ium-2-yl)acetic acid ethyl ester
Formula: C13H13N2O4+
MolecularWeight: 261.25332
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)C[N+]1=CC2=C(C=C1)C(=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C13H13N2O4/c1-2-19-13(16)9-14-7-6-11-10(8-14)4-3-5-12(11)15(17)18/h3-8H,2,9H2,1H3/q+1


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