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

Systemtic Name: methyl 1-oxidanidyl-3-[(3,4,5-triethoxyphenyl)carbonyloxymethyl]quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 1-oxido-3-[(3,4,5-triethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylate CAS Name: 1-oxido-3-[[oxo-(3,4,5-triethoxyphenyl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-oxido-3-[(3,4,5-triethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylate Traditional Name: 1-oxido-3-[(3,4,5-triethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C24H26N2O8 MolecularWeight: 470.47184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

InChI

InChI=1S/C24H26N2O8/c1-5-31-19-12-15(13-20(32-6-2)22(19)33-7-3)23(27)34-14-17-21(24(28)30-4)26(29)18-11-9-8-10-16(18)25-17/h8-13H,5-7,14H2,1-4H3