[3-(methylcarbamoyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl ethanoate

Systemtic Name: [3-(methylcarbamoyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl]methyl ethanoate Openeye Name: [3-(methylcarbamoyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-yl]methyl acetate CAS Name: acetic acid [3-(methylcarbamoyl)-1-oxido-4-oxo-2-quinoxalin-4-iumyl]methyl ester IUPAC Name: [3-(methylcarbamoyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methyl acetate Traditional Name: acetic acid [4-keto-3-(methylcarbamoyl)-1-oxido-quinoxalin-4-ium-2-yl]methyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NC

Isomeric SMILES

CC(=O)OCC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NC

InChI

InChI=1S/C13H13N3O5/c1-8(17)21-7-11-12(13(18)14-2)16(20)10-6-4-3-5-9(10)15(11)19/h3-6H,7H2,1-2H3,(H,14,18)