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

Systemtic Name: ethyl 7-ethoxy-3-[(4-methoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-ethoxy-3-[(4-methoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[[(4-methoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-3-[(4-methoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-1-oxido-3-(p-anisoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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