1-ethyl-N,2-dimethyl-benzimidazol-5-amine; 2,4,6-trinitrophenol

Systemtic Name: 1-ethyl-N,2-dimethyl-benzimidazol-5-amine; 2,4,6-trinitrophenol Openeye Name: 1-ethyl-N,2-dimethyl-benzimidazol-5-amine; picric acid CAS Name: 1-ethyl-N,2-dimethyl-5-benzimidazolamine; 2,4,6-trinitrophenol IUPAC Name: 1-ethyl-N,2-dimethylbenzimidazol-5-amine; 2,4,6-trinitrophenol Traditional Name: (1-ethyl-2-methyl-benzimidazol-5-yl)-methyl-amine; picric acid Formula: C17H18N6O7 MolecularWeight: 418.36082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C=CC(=C2)NC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NC2=C1C=CC(=C2)NC)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H15N3.C6H3N3O7/c1-4-14-8(2)13-10-7-9(12-3)5-6-11(10)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-7,12H,4H2,1-3H3;1-2,10H