1,2-diethyl-5-methyl-pyrazol-3-one; 2,4,6-trinitrophenol

Systemtic Name: 1,2-diethyl-5-methyl-pyrazol-3-one; 2,4,6-trinitrophenol Openeye Name: 1,2-diethyl-5-methyl-pyrazol-3-one; picric acid CAS Name: 1,2-diethyl-5-methyl-3-pyrazolone; 2,4,6-trinitrophenol IUPAC Name: 1,2-diethyl-5-methylpyrazol-3-one; 2,4,6-trinitrophenol Traditional Name: 1,2-diethyl-5-methyl-3-pyrazolin-3-one; picric acid Formula: C14H17N5O8 MolecularWeight: 383.31348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=O)N1CC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C(=CC(=O)N1CC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H14N2O.C6H3N3O7/c1-4-9-7(3)6-8(11)10(9)5-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6H,4-5H2,1-3H3;1-2,10H