ethyl 3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[2-(4-methoxyphenyl)-1-oxoethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-3-28-21(25)20-17(22-16-6-4-5-7-18(16)23(20)26)13-29-19(24)12-14-8-10-15(27-2)11-9-14/h4-11H,3,12-13H2,1-2H3