1,2,5-trimethylpyrazol-3-one; 2,4,6-trinitrophenol

Systemtic Name: 1,2,5-trimethylpyrazol-3-one; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,5-trimethylpyrazol-3-one CAS Name: 1,2,5-trimethyl-3-pyrazolone; 2,4,6-trinitrophenol IUPAC Name: 1,2,5-trimethylpyrazol-3-one; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,2,5-trimethyl-3-pyrazolin-3-one Formula: C12H13N5O8 MolecularWeight: 355.26032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C6H10N2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-5-4-6(9)8(3)7(5)2/h1-2,10H;4H,1-3H3