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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-(2-phenylpropoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-(2-phenylpropoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-(2-phenylpropoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-(2-phenylpropoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-(2-phenylpropoxy)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(COC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(COC1=CC2=C(C=C1)[N+](=NC3=C(C=NN23)I)[O-])C4=CC=CC=C4

InChI

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