ethyl 3-[(4-methoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-[(4-methoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(4-methoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-methoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-oxido-3-(p-anisoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C20H18N2O6 MolecularWeight: 382.36672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)OC)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=C(C=C3)OC)[O-]

InChI

InChI=1S/C20H18N2O6/c1-3-27-20(24)18-16(21-15-6-4-5-7-17(15)22(18)25)12-28-19(23)13-8-10-14(26-2)11-9-13/h4-11H,3,12H2,1-2H3