1-(2-ethylimidazol-1-yl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 1-(2-ethylimidazol-1-yl)ethanamine; 2,4,6-trinitrophenol Openeye Name: 1-(2-ethylimidazol-1-yl)ethanamine; picric acid CAS Name: 1-(2-ethyl-1-imidazolyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: 1-(2-ethylimidazol-1-yl)ethanamine; 2,4,6-trinitrophenol Traditional Name: 1-(2-ethylimidazol-1-yl)ethylamine; picric acid Formula: C13H16N6O7 MolecularWeight: 368.30214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1C(C)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=NC=CN1C(C)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H13N3.C6H3N3O7/c1-3-7-9-4-5-10(7)6(2)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-6H,3,8H2,1-2H3;1-2,10H