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

Systemtic Name: methyl 7-ethoxy-1-oxidanidyl-3-(2-phenoxyethanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7/c1-3-28-15-9-10-16-18(11-15)23(26)20(21(25)27-2)17(22-16)12-30-19(24)13-29-14-7-5-4-6-8-14/h4-11H,3,12-13H2,1-2H3