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

Systemtic Name: 3-iodanyl-5-oxidanidyl-8-(1-phenylethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-5-oxido-8-(1-phenylethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-5-oxido-8-(1-phenylethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-5-oxido-8-(1-phenylethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-5-oxido-8-(1-phenylethoxy)pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C17H13IN4O2 MolecularWeight: 432.21519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13IN4O2/c1-11(12-5-3-2-4-6-12)24-13-7-8-15-16(9-13)21-17(20-22(15)23)14(18)10-19-21/h2-11H,1H3