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

Systemtic Name: ethyl 7-methoxy-1-oxidanidyl-3-(2-phenoxyethanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-methoxy-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-1-oxido-3-[(1-oxo-2-phenoxyethoxy)methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-1-oxido-3-[(2-phenoxyacetyl)oxymethyl]quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)COC3=CC=CC=C3)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=C(C=CC(=C2)OC)N=C1COC(=O)COC3=CC=CC=C3)[O-]

InChI

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