1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole; 2,4,6-trinitrophenol

Systemtic Name: 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole CAS Name: 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole; 2,4,6-trinitrophenol IUPAC Name: 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole Formula: C17H15N5O7 MolecularWeight: 401.3303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=NC3=CC=CC=C32)C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN2C(=NC3=CC=CC=C32)C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N2.C6H3N3O7/c1-2-6-10-9(5-1)12-11-7-3-4-8-13(10)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,5-6H,3-4,7-8H2;1-2,10H