butyl pyridine-3-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: butyl pyridine-3-carboxylate; 2,4,6-trinitrophenol Openeye Name: butyl pyridine-3-carboxylate; picric acid CAS Name: 3-pyridinecarboxylic acid butyl ester; 2,4,6-trinitrophenol IUPAC Name: butyl pyridine-3-carboxylate; 2,4,6-trinitrophenol Traditional Name: nicotinic acid butyl ester; picric acid Formula: C16H16N4O9 MolecularWeight: 408.31964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2.C6H3N3O7/c1-2-3-7-13-10(12)9-5-4-6-11-8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-6,8H,2-3,7H2,1H3;1-2,10H