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

Systemtic Name: methyl 3-(butanoyloxymethyl)-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-(butanoyloxymethyl)-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(butyryloxymethyl)-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-4-5-14(19)24-9-12-15(16(20)23-3)18(21)13-8-10(22-2)6-7-11(13)17-12/h6-8H,4-5,9H2,1-3H3