ethyl 6,7-bis(chloranyl)-3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[2-(4-methoxyphenyl)-1-oxoethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H18Cl2N2O6 MolecularWeight: 465.28342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)CC3=CC=C(C=C3)OC)Cl)Cl)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)CC3=CC=C(C=C3)OC)Cl)Cl)[O-]

InChI

InChI=1S/C21H18Cl2N2O6/c1-3-30-21(27)20-17(24-16-9-14(22)15(23)10-18(16)25(20)28)11-31-19(26)8-12-4-6-13(29-2)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3