methyl 3-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(3,4-dimethoxybenzoyl)oxymethyl]-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethoxy]methyl]-7-methoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethoxybenzoyl)oxymethyl]-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-1-oxido-3-(veratroyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H20N2O8/c1-27-13-6-7-14-16(10-13)23(26)19(21(25)30-4)15(22-14)11-31-20(24)12-5-8-17(28-2)18(9-12)29-3/h5-10H,11H2,1-4H3