2-phenyl-4,5-dihydro-1,3-oxazole; 2,4,6-trinitrophenol

Systemtic Name: 2-phenyl-4,5-dihydro-1,3-oxazole; 2,4,6-trinitrophenol Openeye Name: 2-phenyl-4,5-dihydrooxazole; picric acid CAS Name: 2-phenyl-4,5-dihydrooxazole; 2,4,6-trinitrophenol IUPAC Name: 2-phenyl-4,5-dihydro-1,3-oxazole; 2,4,6-trinitrophenol Traditional Name: 2-phenyl-2-oxazoline; picric acid Formula: C15H12N4O8 MolecularWeight: 376.27778

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=N1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC(=N1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9NO.C6H3N3O7/c1-2-4-8(5-3-1)9-10-6-7-11-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5H,6-7H2;1-2,10H