3-(4-iodophenyl)-2-(2-nitrophenyl)-5-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium chloride

Systemtic Name: 3-(4-iodophenyl)-2-(2-nitrophenyl)-5-phenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium chloride Openeye Name: 3-(4-iodophenyl)-2-(2-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium chloride CAS Name: 3-(4-iodophenyl)-2-(2-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium chloride IUPAC Name: 3-(4-iodophenyl)-2-(2-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium chloride Traditional Name: 3-(4-iodophenyl)-2-(2-nitrophenyl)-5-phenyl-1,3-dihydrotetrazol-3-ium chloride Formula: C19H15ClIN5O2 MolecularWeight: 507.71217

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)I.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2=N[NH+](N(N2)C3=CC=CC=C3[N+](=O)[O-])C4=CC=C(C=C4)I.[Cl-]

InChI

InChI=1S/C19H14IN5O2.ClH/c20-15-10-12-16(13-11-15)23-21-19(14-6-2-1-3-7-14)22-24(23)17-8-4-5-9-18(17)25(26)27;/h1-13H,(H,21,22);1H