ethyl piperidine-4-carboxylate; 2,4,6-trinitrophenol

Systemtic Name: ethyl piperidine-4-carboxylate; 2,4,6-trinitrophenol Openeye Name: ethyl piperidine-4-carboxylate; picric acid CAS Name: 4-piperidinecarboxylic acid ethyl ester; 2,4,6-trinitrophenol IUPAC Name: ethyl piperidine-4-carboxylate; 2,4,6-trinitrophenol Traditional Name: isonipecotic acid ethyl ester; picric acid Formula: C14H18N4O9 MolecularWeight: 386.31412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCNCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCNCC1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H15NO2.C6H3N3O7/c1-2-11-8(10)7-3-5-9-6-4-7;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h7,9H,2-6H2,1H3;1-2,10H