2-(2-methoxy-4-methyl-phenyl)-3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium chloride

Systemtic Name: 2-(2-methoxy-4-methyl-phenyl)-3-(4-nitrophenyl)-5-phenyl-1,2,3,4-tetrazol-2-ium chloride Openeye Name: 2-(2-methoxy-4-methyl-phenyl)-3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium chloride CAS Name: 2-(2-methoxy-4-methylphenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium chloride IUPAC Name: 2-(2-methoxy-4-methylphenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium chloride Traditional Name: 2-(2-methoxy-4-methyl-phenyl)-3-(4-nitrophenyl)-5-phenyl-tetrazol-2-ium chloride Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+]2=NC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)[N+]2=NC(=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C21H18N5O3.ClH/c1-15-8-13-19(20(14-15)29-2)25-23-21(16-6-4-3-5-7-16)22-24(25)17-9-11-18(12-10-17)26(27)28;/h3-14H,1-2H3;1H/q+1;/p-1