ethyl 1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 1-oxido-3-[[oxo(pyridin-4-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 3-(isonicotinoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-]

InChI

InChI=1S/C18H15N3O5/c1-2-25-18(23)16-14(11-26-17(22)12-7-9-19-10-8-12)20-13-5-3-4-6-15(13)21(16)24/h3-10H,2,11H2,1H3