ethyl 7-ethoxy-3-[(2-methoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-3-[(2-methoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-ethoxy-3-[(2-methoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[[(2-methoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-3-[(2-methoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-(o-anisoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H22N2O7/c1-4-29-14-10-11-16-18(12-14)24(27)20(22(26)30-5-2)17(23-16)13-31-21(25)15-8-6-7-9-19(15)28-3/h6-12H,4-5,13H2,1-3H3