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

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)carbonyloxymethyl]-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(3,4-dimethoxybenzoyl)oxymethyl]-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethoxy]methyl]-7-ethoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethoxybenzoyl)oxymethyl]-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-1-oxido-3-(veratroyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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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)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=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/C22H22N2O8/c1-5-31-14-7-8-15-17(11-14)24(27)20(22(26)30-4)16(23-15)12-32-21(25)13-6-9-18(28-2)19(10-13)29-3/h6-11H,5,12H2,1-4H3