3-(dimethylamino)-1-phenyl-propan-1-one; 2,4,6-trinitrophenol

Systemtic Name: 3-(dimethylamino)-1-phenyl-propan-1-one; 2,4,6-trinitrophenol Openeye Name: 3-(dimethylamino)-1-phenyl-propan-1-one; picric acid CAS Name: 3-(dimethylamino)-1-phenyl-1-propanone; 2,4,6-trinitrophenol IUPAC Name: 3-(dimethylamino)-1-phenylpropan-1-one; 2,4,6-trinitrophenol Traditional Name: 3-(dimethylamino)-1-phenyl-propan-1-one; picric acid Formula: C17H18N4O8 MolecularWeight: 406.34682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO.C6H3N3O7/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,8-9H2,1-2H3;1-2,10H