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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-(1-phenylpropan-2-yloxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-8-(1-methyl-2-phenyl-ethoxy)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-(1-phenylpropan-2-yloxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-(1-phenylpropan-2-yloxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-8-(1-methyl-2-phenyl-ethoxy)-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C18H15IN4O2 MolecularWeight: 446.24177

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)OC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)OC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

InChI

InChI=1S/C18H15IN4O2/c1-12(9-13-5-3-2-4-6-13)25-14-7-8-16-17(10-14)22-18(21-23(16)24)15(19)11-20-22/h2-8,10-12H,9H2,1H3