ethyl 3-(diethoxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 3-(diethoxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(diethoxymethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(diethoxymethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(diethoxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(diethoxymethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OCC)OCC

Isomeric SMILES

CCOC(C1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OCC)OCC

InChI

InChI=1S/C16H20N2O6/c1-4-22-15(19)13-14(16(23-5-2)24-6-3)18(21)12-10-8-7-9-11(12)17(13)20/h7-10,16H,4-6H2,1-3H3