(E)-3-azanyl-3-cyclopropyl-1-pyridin-2-yl-prop-2-en-1-one; 2,4,6-trinitrophenol

Systemtic Name: (E)-3-azanyl-3-cyclopropyl-1-pyridin-2-yl-prop-2-en-1-one; 2,4,6-trinitrophenol Openeye Name: (E)-3-amino-3-cyclopropyl-1-(2-pyridyl)prop-2-en-1-one; picric acid CAS Name: (E)-3-amino-3-cyclopropyl-1-(2-pyridinyl)-2-propen-1-one; 2,4,6-trinitrophenol IUPAC Name: (E)-3-amino-3-cyclopropyl-1-pyridin-2-ylprop-2-en-1-one; 2,4,6-trinitrophenol Traditional Name: (E)-3-amino-3-cyclopropyl-1-(2-pyridyl)prop-2-en-1-one; picric acid Formula: C17H15N5O8 MolecularWeight: 417.3297

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=CC(=O)C2=CC=CC=N2)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC1/C(=C\C(=O)C2=CC=CC=N2)/N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H12N2O.C6H3N3O7/c12-9(8-4-5-8)7-11(14)10-3-1-2-6-13-10;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-3,6-8H,4-5,12H2;1-2,10H/b9-7+;