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

Systemtic Name: ethyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(propanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-1-oxido-3-(propanoyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-1-oxido-3-(1-oxopropoxymethyl)-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-1-oxido-3-(propanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(propionyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C15H14Cl2N2O5 MolecularWeight: 373.18806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14Cl2N2O5/c1-3-13(20)24-7-11-14(15(21)23-4-2)19(22)12-6-9(17)8(16)5-10(12)18-11/h5-6H,3-4,7H2,1-2H3