2,4-dinitro-N-phenyl-hexane-1,6-diamine

Systemtic Name: 2,4-dinitro-N-phenyl-hexane-1,6-diamine Openeye Name: 2,4-dinitro-N-phenyl-hexane-1,6-diamine CAS Name: 2,4-dinitro-N-phenylhexane-1,6-diamine IUPAC Name: 2,4-dinitro-N-phenylhexane-1,6-diamine Traditional Name: (6-amino-2,4-dinitro-hexyl)-phenyl-amine Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O4/c13-7-6-11(15(17)18)8-12(16(19)20)9-14-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9,13H2