methyl 7-ethoxy-3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 7-ethoxy-3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 7-ethoxy-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[[(2-ethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-ethoxy-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl 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)OC)COC(=O)C3=CC=CC=C3OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3OCC

InChI

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