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

Systemtic Name: ethyl 5-nitroisoquinolin-2-ium-2-carboxylate chloride Openeye Name: ethyl 5-nitroisoquinolin-2-ium-2-carboxylate chloride CAS Name: 5-nitro-2-isoquinolin-2-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-nitroisoquinolin-2-ium-2-carboxylate chloride Traditional Name: 5-nitroisoquinolin-2-ium-2-carboxylic acid ethyl ester chloride Formula: C12H11ClN2O4 MolecularWeight: 282.67974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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