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

Systemtic Name: [2-methyl-2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)propyl] ethanoate Openeye Name: [2-methyl-2-nitro-1-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)propyl] acetate CAS Name: acetic acid [2-methyl-2-nitro-1-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)propyl] ester IUPAC Name: [2-methyl-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-methyl-2-nitro-propyl] ester Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-9(18)23-13(14(2,3)17(21)22)12-8-15(19)10-6-4-5-7-11(10)16(12)20/h4-8,13H,1-3H3