methyl 1-methylpiperidine-4-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: methyl 1-methylpiperidine-4-carboxylate; 2,4,6-trinitrophenol Openeye Name: methyl 1-methylpiperidine-4-carboxylate; picric acid CAS Name: 1-methyl-4-piperidinecarboxylic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl 1-methylpiperidine-4-carboxylate; 2,4,6-trinitrophenol Traditional Name: 1-methylisonipecotic acid methyl ester; picric acid Formula: C14H18N4O9 MolecularWeight: 386.31412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H15NO2.C6H3N3O7/c1-9-5-3-7(4-6-9)8(10)11-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7H,3-6H2,1-2H3;1-2,10H