ethyl 7-ethoxy-1-oxidanidyl-3-(2-phenoxyethanoyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-1-oxidanidyl-3-(2-phenoxyethanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-ethoxy-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-1-oxido-3-[(1-oxo-2-phenoxyethoxy)methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O7/c1-3-28-16-10-11-17-19(12-16)24(27)21(22(26)29-4-2)18(23-17)13-31-20(25)14-30-15-8-6-5-7-9-15/h5-12H,3-4,13-14H2,1-2H3