6-phenyl-8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-en-2-one; 2,4,6-trinitrophenol

Systemtic Name: 6-phenyl-8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-en-2-one; 2,4,6-trinitrophenol Openeye Name: 8-benzyl-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one; picric acid CAS Name: 6-phenyl-8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-en-2-one; 2,4,6-trinitrophenol IUPAC Name: 8-benzyl-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one; 2,4,6-trinitrophenol Traditional Name: 8-benzyl-6-phenyl-8-azabicyclo[3.2.1]oct-3-en-2-one; picric acid Formula: C26H22N4O8 MolecularWeight: 518.47488

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C=CC(=O)C1N2CC3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C(C2C=CC(=O)C1N2CC3=CC=CC=C3)C4=CC=CC=C4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19NO.C6H3N3O7/c22-20-12-11-18-17(16-9-5-2-6-10-16)13-19(20)21(18)14-15-7-3-1-4-8-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-12,17-19H,13-14H2;1-2,10H