2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)butan-1-ol

Systemtic Name: 2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)butan-1-ol Openeye Name: 2-nitro-1-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)butan-1-ol CAS Name: 2-nitro-1-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)-1-butanol IUPAC Name: 2-nitro-1-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)butan-1-ol Traditional Name: 1-(4-keto-1-oxido-quinoxalin-4-ium-2-yl)-2-nitro-butan-1-ol Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c1-2-8(15(19)20)12(16)11-7-13(17)9-5-3-4-6-10(9)14(11)18/h3-8,12,16H,2H2,1H3