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

Systemtic Name: [2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)propyl] ethanoate Openeye Name: [2-nitro-1-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)propyl] acetate CAS Name: acetic acid [2-nitro-1-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)propyl] ester IUPAC Name: [2-nitro-1-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)propyl] acetate Traditional Name: acetic acid [1-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)-2-nitro-propyl] ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O6/c1-8(16(20)21)13(22-9(2)17)12-7-14(18)10-5-3-4-6-11(10)15(12)19/h3-8,13H,1-2H3