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

Systemtic Name: 5,5-dimethyl-2-phenyl-4H-1,3-oxazole; 2,4,6-trinitrophenol Openeye Name: 5,5-dimethyl-2-phenyl-4H-oxazole; picric acid CAS Name: 5,5-dimethyl-2-phenyl-4H-oxazole; 2,4,6-trinitrophenol IUPAC Name: 5,5-dimethyl-2-phenyl-4H-1,3-oxazole; 2,4,6-trinitrophenol Traditional Name: 5,5-dimethyl-2-phenyl-2-oxazoline; picric acid Formula: C17H16N4O8 MolecularWeight: 404.33094

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN=C(O1)C2=CC=CC=C2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1(CN=C(O1)C2=CC=CC=C2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H13NO.C6H3N3O7/c1-11(2)8-12-10(13-11)9-6-4-3-5-7-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-7H,8H2,1-2H3;1-2,10H