[1-nitro-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)ethyl] ethanoate

Systemtic Name: [1-nitro-2-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)ethyl] ethanoate Openeye Name: [1-nitro-2-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)ethyl] acetate CAS Name: acetic acid [1-nitro-2-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)ethyl] ester IUPAC Name: [1-nitro-2-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)ethyl] acetate Traditional Name: acetic acid [2-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)-1-nitro-ethyl] ester Formula: C12H11N3O6 MolecularWeight: 293.23224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=C[N+](=O)C2=CC=CC=C2N1[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CC1=C[N+](=O)C2=CC=CC=C2N1[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O6/c1-8(16)21-12(15(19)20)6-9-7-13(17)10-4-2-3-5-11(10)14(9)18/h2-5,7,12H,6H2,1H3