[phenyl(pyridin-4-yl)methyl] ethanoate; 2,4,6-trinitrophenol

Systemtic Name: [phenyl(pyridin-4-yl)methyl] ethanoate; 2,4,6-trinitrophenol Openeye Name: [phenyl(4-pyridyl)methyl] acetate; picric acid CAS Name: acetic acid [phenyl(pyridin-4-yl)methyl] ester; 2,4,6-trinitrophenol IUPAC Name: [phenyl(pyridin-4-yl)methyl] acetate; 2,4,6-trinitrophenol Traditional Name: acetic acid [phenyl(4-pyridyl)methyl] ester; picric acid Formula: C20H16N4O9 MolecularWeight: 456.36244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C2=CC=NC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)C2=CC=NC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H13NO2.C6H3N3O7/c1-11(16)17-14(12-5-3-2-4-6-12)13-7-9-15-10-8-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10,14H,1H3;1-2,10H