N'-propan-2-ylpropane-1,3-diamine; 2,4,6-trinitrophenol

Systemtic Name: N'-propan-2-ylpropane-1,3-diamine; 2,4,6-trinitrophenol Openeye Name: N'-isopropylpropane-1,3-diamine; picric acid CAS Name: N'-propan-2-ylpropane-1,3-diamine; 2,4,6-trinitrophenol IUPAC Name: N'-propan-2-ylpropane-1,3-diamine; 2,4,6-trinitrophenol Traditional Name: 3-aminopropyl(isopropyl)amine; picric acid Formula: C12H19N5O7 MolecularWeight: 345.30856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)NCCCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C6H16N2/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-6(2)8-5-3-4-7/h1-2,10H;6,8H,3-5,7H2,1-2H3