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

Systemtic Name: ethyl 3-(butanoyloxymethyl)-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(butanoyloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-1-oxido-3-(1-oxobutoxymethyl)-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(butanoyloxymethyl)-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(butyryloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O6/c1-4-6-15(20)25-10-13-16(17(21)24-5-2)19(22)14-9-11(23-3)7-8-12(14)18-13/h7-9H,4-6,10H2,1-3H3