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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-phenethyloxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-phenethyloxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-phenethyloxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-phenethyloxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-phenethyloxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C17H13IN4O2 MolecularWeight: 432.21519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

InChI

InChI=1S/C17H13IN4O2/c18-14-11-19-21-16-10-13(6-7-15(16)22(23)20-17(14)21)24-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2