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

Systemtic Name: methyl 7-methoxy-1-oxidanidyl-3-(2-phenoxyethanoyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)COC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O7/c1-26-14-8-9-15-17(10-14)22(25)19(20(24)27-2)16(21-15)11-29-18(23)12-28-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3