2-methyl-5-pyridin-4-yl-1,2-oxazolidine; 2,4,6-trinitrophenol

Systemtic Name: 2-methyl-5-pyridin-4-yl-1,2-oxazolidine; 2,4,6-trinitrophenol Openeye Name: 2-methyl-5-(4-pyridyl)isoxazolidine; picric acid CAS Name: 2-methyl-5-pyridin-4-ylisoxazolidine; 2,4,6-trinitrophenol IUPAC Name: 2-methyl-5-pyridin-4-yl-1,2-oxazolidine; 2,4,6-trinitrophenol Traditional Name: 2-methyl-5-(4-pyridyl)isoxazolidine; picric acid Formula: C21H18N8O15 MolecularWeight: 622.41222

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(O1)C2=CC=NC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCC(O1)C2=CC=NC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H12N2O.2C6H3N3O7/c1-11-7-4-9(12-11)8-2-5-10-6-3-8;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-3,5-6,9H,4,7H2,1H3;2*1-2,10H