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

Systemtic Name: 2-methyl-2-nitro-1-(1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-yl)butan-1-ol Openeye Name: 2-methyl-2-nitro-1-(1-oxido-4-oxo-quinoxalin-4-ium-2-yl)butan-1-ol CAS Name: 2-methyl-2-nitro-1-(1-oxido-4-oxo-2-quinoxalin-4-iumyl)-1-butanol IUPAC Name: 2-methyl-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-methyl-2-nitro-butan-1-ol Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c1-3-13(2,16(20)21)12(17)11-8-14(18)9-6-4-5-7-10(9)15(11)19/h4-8,12,17H,3H2,1-2H3