2-piperazin-1-ylethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-piperazin-1-ylethanamine; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-piperazin-1-ylethanamine CAS Name: 2-(1-piperazinyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: 2-piperazin-1-ylethanamine; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-piperazinoethylamine Formula: C12H18N6O7 MolecularWeight: 358.30732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C6H3N3O7.C6H15N3/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;7-1-4-9-5-2-8-3-6-9/h1-2,10H;8H,1-7H2