ethyl 7-ethoxy-1-oxidanidyl-3-(pyridin-3-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-1-oxidanidyl-3-(pyridin-3-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-ethoxy-1-oxido-3-(pyridine-3-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-1-oxido-3-[[oxo(3-pyridinyl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-1-oxido-3-(pyridine-3-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-(nicotinoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CN=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H19N3O6/c1-3-27-14-7-8-15-17(10-14)23(26)18(20(25)28-4-2)16(22-15)12-29-19(24)13-6-5-9-21-11-13/h5-11H,3-4,12H2,1-2H3