methyl 3-(acetyloxymethyl)-6,7-bis(chloranyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-(acetyloxymethyl)-6,7-bis(chloranyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(acetoxymethyl)-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(acetyloxymethyl)-6,7-dichloro-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(acetyloxymethyl)-6,7-dichloro-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(acetoxymethyl)-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C13H10Cl2N2O5 MolecularWeight: 345.1349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10Cl2N2O5/c1-6(18)22-5-10-12(13(19)21-2)17(20)11-4-8(15)7(14)3-9(11)16-10/h3-4H,5H2,1-2H3