4-nitro-2-[(4-phenyl-1,2,4-triazol-4-ium-1-yl)methyl]phenol chloride

Systemtic Name: 4-nitro-2-[(4-phenyl-1,2,4-triazol-4-ium-1-yl)methyl]phenol chloride Openeye Name: 4-nitro-2-[(4-phenyl-1,2,4-triazol-4-ium-1-yl)methyl]phenol chloride CAS Name: 4-nitro-2-[(4-phenyl-1,2,4-triazol-4-ium-1-yl)methyl]phenol chloride IUPAC Name: 4-nitro-2-[(4-phenyl-1,2,4-triazol-4-ium-1-yl)methyl]phenol chloride Traditional Name: 4-nitro-2-[(4-phenyl-1,2,4-triazol-4-ium-1-yl)methyl]phenol chloride Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=CN(N=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=CN(N=C2)CC3=C(C=CC(=C3)[N+](=O)[O-])O.[Cl-]

InChI

InChI=1S/C15H12N4O3.ClH/c20-15-7-6-14(19(21)22)8-12(15)9-18-11-17(10-16-18)13-4-2-1-3-5-13;/h1-8,10-11H,9H2;1H