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

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

Systemtic Name:methyl 3-(butanoyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate
Openeye Name:methyl 3-(butanoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate
CAS Name:1-oxido-3-(1-oxobutoxymethyl)-2-quinoxalin-1-iumcarboxylic acid methyl ester
IUPAC Name:methyl 3-(butanoyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate
Traditional Name:3-(butyryloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester
Formula: C15H16N2O5
MolecularWeight: 304.29794
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H16N2O5/c1-3-6-13(18)22-9-11-14(15(19)21-2)17(20)12-8-5-4-7-10(12)16-11/h4-5,7-8H,3,6,9H2,1-2H3


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