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

Systemtic Name: 8-(cyclopropylmethoxy)-3-iodanyl-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 8-(cyclopropylmethoxy)-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 8-(cyclopropylmethoxy)-3-iodo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 8-(cyclopropylmethoxy)-3-iodo-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 8-(cyclopropylmethoxy)-3-iodo-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C13H11IN4O2 MolecularWeight: 382.15651

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

Isomeric SMILES

C1CC1COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

InChI

InChI=1S/C13H11IN4O2/c14-10-6-15-17-12-5-9(20-7-8-1-2-8)3-4-11(12)18(19)16-13(10)17/h3-6,8H,1-2,7H2