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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c1-3-10(17(21)22)14(23-9(2)18)13-8-15(19)11-6-4-5-7-12(11)16(13)20/h4-8,10,14H,3H2,1-2H3