2-(2-chloroethyl)-5-ethyl-pyridine; 2,4,6-trinitrophenol

Systemtic Name: 2-(2-chloroethyl)-5-ethyl-pyridine; 2,4,6-trinitrophenol Openeye Name: 2-(2-chloroethyl)-5-ethyl-pyridine; picric acid CAS Name: 2-(2-chloroethyl)-5-ethylpyridine; 2,4,6-trinitrophenol IUPAC Name: 2-(2-chloroethyl)-5-ethylpyridine; 2,4,6-trinitrophenol Traditional Name: 2-(2-chloroethyl)-5-ethyl-pyridine; picric acid Formula: C15H15ClN4O7 MolecularWeight: 398.7552

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CN=C(C=C1)CCCl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H12ClN.C6H3N3O7/c1-2-8-3-4-9(5-6-10)11-7-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-4,7H,2,5-6H2,1H3;1-2,10H