pyridin-1-ium-1-amine; 2,4,6-trinitrophenolate

Systemtic Name: pyridin-1-ium-1-amine; 2,4,6-trinitrophenolate Openeye Name: pyridin-1-ium-1-amine; 2,4,6-trinitrophenolate CAS Name: 1-pyridin-1-iumamine; 2,4,6-trinitrophenolate IUPAC Name: pyridin-1-ium-1-amine; 2,4,6-trinitrophenolate Traditional Name: pyridin-1-ium-1-ylamine picrate Formula: C11H9N5O7 MolecularWeight: 323.21846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H3N3O7.C5H7N2/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;6-7-4-2-1-3-5-7/h1-2,10H;1-5H,6H2/q;+1/p-1