2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole; 2,4,6-trinitrophenol

Systemtic Name: 2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole; 2,4,6-trinitrophenol Openeye Name: 2-(4-nitrophenyl)-4,5-dihydrooxazole; picric acid CAS Name: 2-(4-nitrophenyl)-4,5-dihydrooxazole; 2,4,6-trinitrophenol IUPAC Name: 2-(4-nitrophenyl)-4,5-dihydro-1,3-oxazole; 2,4,6-trinitrophenol Traditional Name: 2-(4-nitrophenyl)-2-oxazoline; picric acid Formula: C15H11N5O10 MolecularWeight: 421.27534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O3.C6H3N3O7/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-4H,5-6H2;1-2,10H