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

Systemtic Name: ethyl 3-(acetyloxymethyl)-6,7-bis(chloranyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H12Cl2N2O5 MolecularWeight: 359.16148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C)Cl)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C)Cl)Cl)[O-]

InChI

InChI=1S/C14H12Cl2N2O5/c1-3-22-14(20)13-11(6-23-7(2)19)17-10-4-8(15)9(16)5-12(10)18(13)21/h4-5H,3,6H2,1-2H3