3-pyridin-2-ylpropan-1-amine; 2,4,6-trinitrophenol

Systemtic Name: 3-pyridin-2-ylpropan-1-amine; 2,4,6-trinitrophenol Openeye Name: picric acid; 3-(2-pyridyl)propan-1-amine CAS Name: 3-(2-pyridinyl)-1-propanamine; 2,4,6-trinitrophenol IUPAC Name: 3-pyridin-2-ylpropan-1-amine; 2,4,6-trinitrophenol Traditional Name: picric acid; 3-(2-pyridyl)propylamine Formula: C14H15N5O7 MolecularWeight: 365.2982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2.C6H3N3O7/c9-6-3-5-8-4-1-2-7-10-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,4,7H,3,5-6,9H2;1-2,10H