methyl 7-ethoxy-3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 7-ethoxy-3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-ethoxy-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[[2-(4-methoxyphenyl)-1-oxoethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-ethoxy-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H22N2O7/c1-4-30-16-9-10-17-19(12-16)24(27)21(22(26)29-3)18(23-17)13-31-20(25)11-14-5-7-15(28-2)8-6-14/h5-10,12H,4,11,13H2,1-3H3