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

Systemtic Name: ethyl 1-oxidanidyl-3-[(3,4,5-triethoxyphenyl)carbonyloxymethyl]quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H28N2O8 MolecularWeight: 484.49842

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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)OCC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O8/c1-5-31-20-13-16(14-21(32-6-2)23(20)33-7-3)24(28)35-15-18-22(25(29)34-8-4)27(30)19-12-10-9-11-17(19)26-18/h9-14H,5-8,15H2,1-4H3