methyl 7-methoxy-1-oxidanidyl-3-[(3,4,5-trimethoxyphenyl)carbonyloxymethyl]quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 7-methoxy-1-oxidanidyl-3-[(3,4,5-trimethoxyphenyl)carbonyloxymethyl]quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-methoxy-1-oxido-3-[(3,4,5-trimethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-1-oxido-3-[[oxo-(3,4,5-trimethoxyphenyl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-1-oxido-3-[(3,4,5-trimethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-1-oxido-3-[(3,4,5-trimethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C22H22N2O9 MolecularWeight: 458.41808

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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)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)OC

InChI

InChI=1S/C22H22N2O9/c1-28-13-6-7-14-16(10-13)24(27)19(22(26)32-5)15(23-14)11-33-21(25)12-8-17(29-2)20(31-4)18(9-12)30-3/h6-10H,11H2,1-5H3