ethyl 5-nitroisoquinolin-2-ium-2-carboxylate

Systemtic Name: ethyl 5-nitroisoquinolin-2-ium-2-carboxylate Openeye Name: ethyl 5-nitroisoquinolin-2-ium-2-carboxylate CAS Name: 5-nitro-2-isoquinolin-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-nitroisoquinolin-2-ium-2-carboxylate Traditional Name: 5-nitroisoquinolin-2-ium-2-carboxylic acid ethyl ester Formula: C12H11N2O4+ MolecularWeight: 247.22674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N2O4/c1-2-18-12(15)13-7-6-10-9(8-13)4-3-5-11(10)14(16)17/h3-8H,2H2,1H3/q+1