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

Systemtic Name: methyl 3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

InChI

InChI=1S/C20H18N2O6/c1-26-14-9-7-13(8-10-14)11-18(23)28-12-16-19(20(24)27-2)22(25)17-6-4-3-5-15(17)21-16/h3-10H,11-12H2,1-2H3