(Z)-1,4-diazepan-4-ium-1-yl-(2,4-dinitrophenoxy)imino-oxidanidyl-azanium chloride

Systemtic Name: (Z)-1,4-diazepan-4-ium-1-yl-(2,4-dinitrophenoxy)imino-oxidanidyl-azanium chloride Openeye Name: (Z)-1,4-diazepan-4-ium-1-yl-(2,4-dinitrophenoxy)imino-oxido-ammonium chloride CAS Name: (Z)-1,4-diazepan-4-ium-1-yl-(2,4-dinitrophenoxy)imino-oxidoammonium chloride IUPAC Name: (Z)-1,4-diazepan-4-ium-1-yl-(2,4-dinitrophenoxy)imino-oxidoazanium chloride Traditional Name: (Z)-1,4-diazepan-4-ium-1-yl-(2,4-dinitrophenyl)oximino-oxido-ammonium chloride Formula: C11H15ClN6O6 MolecularWeight: 362.7264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-].[Cl-]

Isomeric SMILES

C1C[NH2+]CCN(C1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-].[Cl-]

InChI

InChI=1S/C11H14N6O6.ClH/c18-15(19)9-2-3-11(10(8-9)16(20)21)23-13-17(22)14-6-1-4-12-5-7-14;/h2-3,8,12H,1,4-7H2;1H/b17-13-;