6-methoxy-2-methyl-1H-benzimidazole; 2,4,6-trinitrophenol

Systemtic Name: 6-methoxy-2-methyl-1H-benzimidazole; 2,4,6-trinitrophenol Openeye Name: 6-methoxy-2-methyl-1H-benzimidazole; picric acid CAS Name: 6-methoxy-2-methyl-1H-benzimidazole; 2,4,6-trinitrophenol IUPAC Name: 6-methoxy-2-methyl-1H-benzimidazole; 2,4,6-trinitrophenol Traditional Name: 6-methoxy-2-methyl-1H-benzimidazole; picric acid Formula: C15H13N5O8 MolecularWeight: 391.29242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O.C6H3N3O7/c1-6-10-8-4-3-7(12-2)5-9(8)11-6;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-5H,1-2H3,(H,10,11);1-2,10H