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

Systemtic Name: ethyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(2-phenoxyethanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-1-oxido-3-[(1-oxo-2-phenoxyethoxy)methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C20H16Cl2N2O6 MolecularWeight: 451.25684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)COC3=CC=CC=C3)Cl)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)COC3=CC=CC=C3)Cl)Cl)[O-]

InChI

InChI=1S/C20H16Cl2N2O6/c1-2-28-20(26)19-16(10-30-18(25)11-29-12-6-4-3-5-7-12)23-15-8-13(21)14(22)9-17(15)24(19)27/h3-9H,2,10-11H2,1H3