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

Systemtic Name: ethyl 3-(butanoyloxymethyl)-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(butanoyloxymethyl)-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-1-oxido-3-(1-oxobutoxymethyl)-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(butanoyloxymethyl)-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(butyryloxymethyl)-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC1=NC2=C(C=C(C=C2)OCC)[N+](=C1C(=O)OCC)[O-]

Isomeric SMILES

CCCC(=O)OCC1=NC2=C(C=C(C=C2)OCC)[N+](=C1C(=O)OCC)[O-]

InChI

InChI=1S/C18H22N2O6/c1-4-7-16(21)26-11-14-17(18(22)25-6-3)20(23)15-10-12(24-5-2)8-9-13(15)19-14/h8-10H,4-7,11H2,1-3H3