N'-[dinitro-(2-nitrophenyl)methyl]pentane-1,5-diamine

Systemtic Name: N'-[dinitro-(2-nitrophenyl)methyl]pentane-1,5-diamine Openeye Name: N'-[dinitro-(2-nitrophenyl)methyl]pentane-1,5-diamine CAS Name: N'-[dinitro-(2-nitrophenyl)methyl]pentane-1,5-diamine IUPAC Name: N'-[dinitro-(2-nitrophenyl)methyl]pentane-1,5-diamine Traditional Name: 5-aminopentyl-[dinitro-(2-nitrophenyl)methyl]amine Formula: C12H17N5O6 MolecularWeight: 327.29328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(NCCCCCN)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(NCCCCCN)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O6/c13-8-4-1-5-9-14-12(16(20)21,17(22)23)10-6-2-3-7-11(10)15(18)19/h2-3,6-7,14H,1,4-5,8-9,13H2