5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-methylpiperidine; 2,4,6-trinitrophenol

Systemtic Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-methylpiperidine; 2,4,6-trinitrophenol Openeye Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-methylpiperidine; picric acid CAS Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-methylpiperidine; 2,4,6-trinitrophenol IUPAC Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-4H-pyrazol-3-one; 1-methylpiperidine; 2,4,6-trinitrophenol Traditional Name: 5-methyl-4-nitro-2-(4-nitrophenyl)-2-pyrazolin-3-one; 1-methylpiperidine; picric acid Formula: C22H24N8O12 MolecularWeight: 592.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CN1CCCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-].CN1CCCCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8N4O5.C6H3N3O7.C6H13N/c1-6-9(14(18)19)10(15)12(11-6)7-2-4-8(5-3-7)13(16)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;1-7-5-3-2-4-6-7/h2-5,9H,1H3;1-2,10H;2-6H2,1H3