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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-pentoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-pentoxy-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-pentoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-pentoxypyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 8-amoxy-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C14H15IN4O2 MolecularWeight: 398.19897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

InChI

InChI=1S/C14H15IN4O2/c1-2-3-4-7-21-10-5-6-12-13(8-10)18-14(17-19(12)20)11(15)9-16-18/h5-6,8-9H,2-4,7H2,1H3