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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-phenylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-phenylpyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-phenyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C15H9IN4O MolecularWeight: 388.16263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9IN4O/c16-12-9-17-19-14-8-11(10-4-2-1-3-5-10)6-7-13(14)20(21)18-15(12)19/h1-9H