ethyl 4-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-oxidanyl-methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)-oxidanyl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[hydroxy-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[hydroxy-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[hydroxy-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[hydroxy-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=C[N+](=O)C3=CC=CC=C3N2[O-])O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=C[N+](=O)C3=CC=CC=C3N2[O-])O

InChI

InChI=1S/C16H20N4O5/c1-2-25-16(22)18-9-7-17(8-10-18)15(21)14-11-19(23)12-5-3-4-6-13(12)20(14)24/h3-6,11,15,21H,2,7-10H2,1H3