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

Systemtic Name: methyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(oxolan-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-1-oxido-3-(tetrahydrofuran-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-1-oxido-3-[[oxo(2-oxolanyl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-1-oxido-3-(oxolane-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(tetrahydrofuran-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H14Cl2N2O6 MolecularWeight: 401.19816

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3CCCO3)Cl)Cl)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3CCCO3)Cl)Cl)[O-]

InChI

InChI=1S/C16H14Cl2N2O6/c1-24-16(22)14-11(7-26-15(21)13-3-2-4-25-13)19-10-5-8(17)9(18)6-12(10)20(14)23/h5-6,13H,2-4,7H2,1H3