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

Systemtic Name: methyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-1-oxido-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-1-oxido-3-(1-oxopentoxymethyl)-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-1-oxido-3-(pentanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(valeryloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H16Cl2N2O5 MolecularWeight: 387.21464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16Cl2N2O5/c1-3-4-5-14(21)25-8-12-15(16(22)24-2)20(23)13-7-10(18)9(17)6-11(13)19-12/h6-7H,3-5,8H2,1-2H3