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

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

Systemtic Name:methyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(propanoyloxymethyl)quinoxalin-1-ium-2-carboxylate
Openeye Name:methyl 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 methyl ester
IUPAC Name:methyl 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 methyl ester
Formula: C14H12Cl2N2O5
MolecularWeight: 359.16148
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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