methyl 3-[(4-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OC)[O-]

InChI

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