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

Systemtic Name: 8-butoxy-3-iodanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 8-butoxy-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 8-butoxy-3-iodo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 8-butoxy-3-iodo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 8-butoxy-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C13H13IN4O2 MolecularWeight: 384.17239

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

InChI

InChI=1S/C13H13IN4O2/c1-2-3-6-20-9-4-5-11-12(7-9)17-13(16-18(11)19)10(14)8-15-17/h4-5,7-8H,2-3,6H2,1H3