5-(3-methoxyphenyl)-7-methyl-7-azabicyclo[3.2.1]octane; 2,4,6-trinitrophenol

Systemtic Name: 5-(3-methoxyphenyl)-7-methyl-7-azabicyclo[3.2.1]octane; 2,4,6-trinitrophenol Openeye Name: 5-(3-methoxyphenyl)-7-methyl-7-azabicyclo[3.2.1]octane; picric acid CAS Name: 5-(3-methoxyphenyl)-7-methyl-7-azabicyclo[3.2.1]octane; 2,4,6-trinitrophenol IUPAC Name: 5-(3-methoxyphenyl)-7-methyl-7-azabicyclo[3.2.1]octane; 2,4,6-trinitrophenol Traditional Name: 5-(3-methoxyphenyl)-7-methyl-7-azabicyclo[3.2.1]octane; picric acid Formula: C21H24N4O8 MolecularWeight: 460.43726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2(CCCC1C2)C3=CC(=CC=C3)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CC2(CCCC1C2)C3=CC(=CC=C3)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H21NO.C6H3N3O7/c1-16-11-15(8-4-6-13(16)10-15)12-5-3-7-14(9-12)17-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3,5,7,9,13H,4,6,8,10-11H2,1-2H3;1-2,10H