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

Systemtic Name: ethyl 7-ethoxy-3-[(4-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-ethoxy-3-[(4-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-3-[[(4-ethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-3-[(4-ethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-3-[(4-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C23H24N2O7 MolecularWeight: 440.44586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O7/c1-4-29-16-9-7-15(8-10-16)22(26)32-14-19-21(23(27)31-6-3)25(28)20-13-17(30-5-2)11-12-18(20)24-19/h7-13H,4-6,14H2,1-3H3