benzimidazol-3-ium-1,3-diamine; 2,4,6-trinitrophenolate

Systemtic Name: benzimidazol-3-ium-1,3-diamine; 2,4,6-trinitrophenolate Openeye Name: benzimidazol-3-ium-1,3-diamine; 2,4,6-trinitrophenolate CAS Name: benzimidazol-3-ium-1,3-diamine; 2,4,6-trinitrophenolate IUPAC Name: benzimidazol-3-ium-1,3-diamine; 2,4,6-trinitrophenolate Traditional Name: (3-aminobenzimidazol-1-ium-1-yl)amine picrate Formula: C13H11N7O7 MolecularWeight: 377.26914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C=[N+]2N)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C=[N+]2N)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H9N4.C6H3N3O7/c8-10-5-11(9)7-4-2-1-3-6(7)10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-5H,8-9H2;1-2,10H/q+1;/p-1