2,3,5,8-tetrahydro-1H-pyrrolizine; 2,4,6-trinitrophenol

Systemtic Name: 2,3,5,8-tetrahydro-1H-pyrrolizine; 2,4,6-trinitrophenol Openeye Name: picric acid; 2,3,5,8-tetrahydro-1H-pyrrolizine CAS Name: 2,3,5,8-tetrahydro-1H-pyrrolizine; 2,4,6-trinitrophenol IUPAC Name: 2,3,5,8-tetrahydro-1H-pyrrolizine; 2,4,6-trinitrophenol Traditional Name: picric acid; 2,3,5,8-tetrahydro-1H-pyrrolizine Formula: C13H14N4O7 MolecularWeight: 338.27286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C=CCN2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC2C=CCN2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H11N.C6H3N3O7/c1-3-7-4-2-6-8(7)5-1;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1,3,7H,2,4-6H2;1-2,10H