1-[7-(trideuteriomethoxy)-1,3-benzodioxol-5-yl]propan-2-amine; 2,4,6-trinitrophenol

Systemtic Name: 1-[7-(trideuteriomethoxy)-1,3-benzodioxol-5-yl]propan-2-amine; 2,4,6-trinitrophenol Openeye Name: picric acid; 1-[7-(trideuteriomethoxy)-1,3-benzodioxol-5-yl]propan-2-amine CAS Name: 1-[7-(trideuteriomethoxy)-1,3-benzodioxol-5-yl]-2-propanamine; 2,4,6-trinitrophenol IUPAC Name: 1-[7-(trideuteriomethoxy)-1,3-benzodioxol-5-yl]propan-2-amine; 2,4,6-trinitrophenol Traditional Name: [1-methyl-2-[7-(trideuteriomethoxy)-1,3-benzodioxol-5-yl]ethyl]amine; picric acid Formula: C17H18N4O10 MolecularWeight: 441.364105

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C(=C1)OC)OCO2)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

[2H]C([2H])([2H])OC1=CC(=CC2=C1OCO2)CC(C)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15NO3.C6H3N3O7/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-5,7H,3,6,12H2,1-2H3;1-2,10H/i2D3;