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

Systemtic Name: 3-iodanyl-8-(2-methoxyethoxy)-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-8-(2-methoxyethoxy)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-8-(2-methoxyethoxy)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-8-(2-methoxyethoxy)-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-8-(2-methoxyethoxy)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C12H11IN4O3 MolecularWeight: 386.14521

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

Isomeric SMILES

COCCOC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-]

InChI

InChI=1S/C12H11IN4O3/c1-19-4-5-20-8-2-3-10-11(6-8)16-12(15-17(10)18)9(13)7-14-16/h2-3,6-7H,4-5H2,1H3