butan-2-yl pyridine-3-carboxylate; 2,4,6-trinitrophenol

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)OC(=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/c1-3-8(2)13-10(12)9-5-4-6-11-7-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,3H2,1-2H3;1-2,10H