4-methylpyridine-3-carbonitrile; 2,4,6-trinitrophenol

Systemtic Name: 4-methylpyridine-3-carbonitrile; 2,4,6-trinitrophenol Openeye Name: 4-methylpyridine-3-carbonitrile; picric acid CAS Name: 4-methyl-3-pyridinecarbonitrile; 2,4,6-trinitrophenol IUPAC Name: 4-methylpyridine-3-carbonitrile; 2,4,6-trinitrophenol Traditional Name: 4-methylnicotinonitrile; picric acid Formula: C13H9N5O7 MolecularWeight: 347.23986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NC=C1)C#N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H6N2.C6H3N3O7/c1-6-2-3-9-5-7(6)4-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-3,5H,1H3;1-2,10H