3-iodanyl-5-oxidanidyl-8-(pyridin-4-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-(pyridin-4-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-(4-pyridylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-(pyridin-4-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-(pyridin-4-ylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-(4-pyridylmethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C15H10IN5O2 MolecularWeight: 419.17667

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OCC3=CC=NC=C3)N4C(=C(C=N4)I)N=[N+]2[O-]

Isomeric SMILES

C1=CC2=C(C=C1OCC3=CC=NC=C3)N4C(=C(C=N4)I)N=[N+]2[O-]

InChI

InChI=1S/C15H10IN5O2/c16-12-8-18-20-14-7-11(23-9-10-3-5-17-6-4-10)1-2-13(14)21(22)19-15(12)20/h1-8H,9H2