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

Systemtic Name: ethyl 3-[(2-ethoxyphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(2-ethoxyphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-ethoxybenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(2-ethoxybenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OCC)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC2=NC3=CC=CC=C3[N+](=C2C(=O)OCC)[O-]

InChI

InChI=1S/C21H20N2O6/c1-3-27-18-12-8-5-9-14(18)20(24)29-13-16-19(21(25)28-4-2)23(26)17-11-7-6-10-15(17)22-16/h5-12H,3-4,13H2,1-2H3