NSC76180

Molecular Formula: C15H20N4O9


InChI: InChI=1/C9H17NO2.C6H3N3O7/c1-10-6-2-3-8(10)7(5-11)9(12)4-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-9,11-12H,2-5H2,1H3;1-2,10H

InChIKey: InChIKey=DKCDAEFNBWICFK-UHFFFAOYAZ
SMILES: CN1C2CCC1C(C(C2)O)CO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Names:
    NSC76180
    2-(hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol; 2,4,6-trinitrophenol

Registries:
    PubChem CID 253337
    PubChem ID 117478