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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-propoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-propoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-propoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-propoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-propoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C12H11IN4O2 MolecularWeight: 370.14581

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

Isomeric SMILES

CCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

InChI

InChI=1S/C12H11IN4O2/c1-2-5-19-8-3-4-10-11(6-8)16-12(15-17(10)18)9(13)7-14-16/h3-4,6-7H,2,5H2,1H3