ethanoic acid; methyl 1,2-bis(oxidanylidene)-3,4-dihydroisoquinolin-2-ium-6-carboxylate

Systemtic Name: ethanoic acid; methyl 1,2-bis(oxidanylidene)-3,4-dihydroisoquinolin-2-ium-6-carboxylate Openeye Name: acetic acid; methyl 1,2-dioxo-3,4-dihydroisoquinolin-2-ium-6-carboxylate CAS Name: acetic acid; 1,2-dioxo-3,4-dihydroisoquinolin-2-ium-6-carboxylic acid methyl ester IUPAC Name: acetic acid; methyl 1,2-dioxo-3,4-dihydroisoquinolin-2-ium-6-carboxylate Traditional Name: acetic acid; 1,2-diketo-3,4-dihydroisoquinolin-2-ium-6-carboxylic acid methyl ester Formula: C13H14NO6+ MolecularWeight: 280.25336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)C1=CC2=C(C=C1)C(=O)[N+](=O)CC2

Isomeric SMILES

CC(=O)O.COC(=O)C1=CC2=C(C=C1)C(=O)[N+](=O)CC2

InChI

InChI=1S/C11H10NO4.C2H4O2/c1-16-11(14)8-2-3-9-7(6-8)4-5-12(15)10(9)13;1-2(3)4/h2-3,6H,4-5H2,1H3;1H3,(H,3,4)/q+1;