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

Systemtic Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-phenyl-1,2,3,4-tetrazol-2-ium chloride Openeye Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-phenyl-tetrazol-2-ium chloride CAS Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-phenyltetrazol-2-ium chloride IUPAC Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-phenyltetrazol-2-ium chloride Traditional Name: 5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3-phenyl-tetrazol-2-ium chloride Formula: C20H16ClN5O3 MolecularWeight: 409.82574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C20H16N5O3.ClH/c1-28-19-13-7-15(8-14-19)20-21-23(16-5-3-2-4-6-16)24(22-20)17-9-11-18(12-10-17)25(26)27;/h2-14H,1H3;1H/q+1;/p-1