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

Systemtic Name: methyl 7-methoxy-3-[2-(4-methoxyphenyl)ethanoyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-methoxy-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-3-[[2-(4-methoxyphenyl)-1-oxoethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-3-[[2-(4-methoxyphenyl)acetyl]oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-27-14-6-4-13(5-7-14)10-19(24)30-12-17-20(21(25)29-3)23(26)18-11-15(28-2)8-9-16(18)22-17/h4-9,11H,10,12H2,1-3H3