N-pyridin-1-ium-1-ylethanamide; 2,4,6-trinitrophenolate

Systemtic Name: N-pyridin-1-ium-1-ylethanamide; 2,4,6-trinitrophenolate Openeye Name: N-pyridin-1-ium-1-ylacetamide; 2,4,6-trinitrophenolate CAS Name: N-(1-pyridin-1-iumyl)acetamide; 2,4,6-trinitrophenolate IUPAC Name: N-pyridin-1-ium-1-ylacetamide; 2,4,6-trinitrophenolate Traditional Name: N-pyridin-1-ium-1-ylacetamide picrate Formula: C13H11N5O8 MolecularWeight: 365.25514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[N+]1=CC=CC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H8N2O.C6H3N3O7/c1-7(10)8-9-5-3-2-4-6-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-6H,1H3;1-2,10H