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(5,6-dinitro-1H-benzimidazol-2-yl)-(phenylmethyl)azanium chloride

(5,6-dinitro-1H-benzimidazol-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name:(5,6-dinitro-1H-benzimidazol-2-yl)-(phenylmethyl)azanium chloride
Openeye Name:benzyl-(5,6-dinitro-1H-benzimidazol-2-yl)ammonium chloride
CAS Name:(5,6-dinitro-1H-benzimidazol-2-yl)-(phenylmethyl)ammonium chloride
IUPAC Name:benzyl-(5,6-dinitro-1H-benzimidazol-2-yl)azanium chloride
Traditional Name:benzyl-(5,6-dinitro-1H-benzimidazol-2-yl)ammonium chloride
Formula: C14H12ClN5O4
MolecularWeight: 349.72918
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]C2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]


Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]C2=NC3=CC(=C(C=C3N2)[N+](=O)[O-])[N+](=O)[O-].[Cl-]


InChI

InChI=1S/C14H11N5O4.ClH/c20-18(21)12-6-10-11(7-13(12)19(22)23)17-14(16-10)15-8-9-4-2-1-3-5-9;/h1-7H,8H2,(H2,15,16,17);1H


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