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

Systemtic Name: methyl 3-(acetyloxymethyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(acetoxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(acetyloxymethyl)-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(acetyloxymethyl)-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(acetoxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O5/c1-8(16)20-7-10-12(13(17)19-2)15(18)11-6-4-3-5-9(11)14-10/h3-6H,7H2,1-2H3