4-[2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine

Systemtic Name: 4-[2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine Openeye Name: 4-[2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine CAS Name: 4-[2-[4-(2,4-dinitrophenyl)-1-piperazin-1-iumyl]ethoxy]-1,2,5-oxadiazol-3-amine IUPAC Name: 4-[2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethoxy]-1,2,5-oxadiazol-3-amine Traditional Name: [4-[2-[4-(2,4-dinitrophenyl)piperazin-1-ium-1-yl]ethoxy]furazan-3-yl]amine Formula: C14H18N7O6+ MolecularWeight: 380.33602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=NON=C2N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=NON=C2N)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N7O6/c15-13-14(17-27-16-13)26-8-7-18-3-5-19(6-4-18)11-2-1-10(20(22)23)9-12(11)21(24)25/h1-2,9H,3-8H2,(H2,15,16)/p+1