N-[3-(diethylamino)propyl]ethanamide; 2,4,6-trinitrophenol

Systemtic Name: N-[3-(diethylamino)propyl]ethanamide; 2,4,6-trinitrophenol Openeye Name: N-[3-(diethylamino)propyl]acetamide; picric acid CAS Name: N-[3-(diethylamino)propyl]acetamide; 2,4,6-trinitrophenol IUPAC Name: N-[3-(diethylamino)propyl]acetamide; 2,4,6-trinitrophenol Traditional Name: N-[3-(diethylamino)propyl]acetamide; picric acid Formula: C15H23N5O8 MolecularWeight: 401.37182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20N2O.C6H3N3O7/c1-4-11(5-2)8-6-7-10-9(3)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H2,1-3H3,(H,10,12);1-2,10H