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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-phenylmethoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 8-benzyloxy-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-phenylmethoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-phenylmethoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 8-benzoxy-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C16H11IN4O2 MolecularWeight: 418.18861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

InChI

InChI=1S/C16H11IN4O2/c17-13-9-18-20-15-8-12(23-10-11-4-2-1-3-5-11)6-7-14(15)21(22)19-16(13)20/h1-9H,10H2