dimethyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate; 2,4,6-trinitrophenol

Systemtic Name: dimethyl 8-methyl-3-oxidanyl-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate; 2,4,6-trinitrophenol Openeye Name: dimethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate; picric acid CAS Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2,4-dicarboxylic acid dimethyl ester; 2,4,6-trinitrophenol IUPAC Name: dimethyl 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate; 2,4,6-trinitrophenol Traditional Name: 3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2,4-dicarboxylic acid dimethyl ester; picric acid Formula: C18H22N4O12 MolecularWeight: 486.38688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2C(=O)OC)O)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C2CCC1C(C(C2C(=O)OC)O)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H19NO5.C6H3N3O7/c1-13-6-4-5-7(13)9(12(16)18-3)10(14)8(6)11(15)17-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-10,14H,4-5H2,1-3H3;1-2,10H