3-iodanyl-5-oxidanidyl-8-phenethyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-phenethyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-phenethyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-phenethylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-phenethylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-phenethyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C17H13IN4O MolecularWeight: 416.21579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

InChI

InChI=1S/C17H13IN4O/c18-14-11-19-21-16-10-13(7-6-12-4-2-1-3-5-12)8-9-15(16)22(23)20-17(14)21/h1-5,8-11H,6-7H2