1-methyl-5-phenyl-pyrazole; 2,4,6-trinitrophenol

Systemtic Name: 1-methyl-5-phenyl-pyrazole; 2,4,6-trinitrophenol Openeye Name: 1-methyl-5-phenyl-pyrazole; picric acid CAS Name: 1-methyl-5-phenylpyrazole; 2,4,6-trinitrophenol IUPAC Name: 1-methyl-5-phenylpyrazole; 2,4,6-trinitrophenol Traditional Name: 1-methyl-5-phenyl-pyrazole; picric acid Formula: C16H13N5O7 MolecularWeight: 387.30372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C(=CC=N1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2.C6H3N3O7/c1-12-10(7-8-11-12)9-5-3-2-4-6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-8H,1H3;1-2,10H