ethyl 7-methoxy-3-[(3-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-methoxy-3-[(3-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-methoxy-3-[(3-methylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-3-[[(3-methylphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-3-[(3-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-3-(m-toluoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O6/c1-4-28-21(25)19-17(12-29-20(24)14-7-5-6-13(2)10-14)22-16-9-8-15(27-3)11-18(16)23(19)26/h5-11H,4,12H2,1-3H3