ethyl 7-methoxy-3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-methoxy-3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-methoxy-3-[(4-methylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-methoxy-3-[[(4-methylphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-methoxy-3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-methoxy-1-oxido-3-(p-toluoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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