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

Systemtic Name: ethyl 1-oxidanidyl-3-[(3,4,5-trimethoxyphenyl)carbonyloxymethyl]quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 1-oxido-3-[(3,4,5-trimethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylate CAS Name: 1-oxido-3-[[oxo-(3,4,5-trimethoxyphenyl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-oxido-3-[(3,4,5-trimethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylate Traditional Name: 1-oxido-3-[(3,4,5-trimethoxybenzoyl)oxymethyl]quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC(=C(C(=C3)OC)OC)OC)[O-]

InChI

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