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

Systemtic Name: 3-iodanyl-8-[(2-methoxyphenyl)methoxy]-5-oxidanidyl-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Openeye Name: 3-iodo-8-[(2-methoxyphenyl)methoxy]-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium CAS Name: 3-iodo-8-[(2-methoxyphenyl)methoxy]-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium IUPAC Name: 3-iodo-8-[(2-methoxyphenyl)methoxy]-5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Traditional Name: 3-iodo-8-o-anisyloxy-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium Formula: C17H13IN4O3 MolecularWeight: 448.21459

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

Isomeric SMILES

COC1=CC=CC=C1COC2=CC3=C(C=C2)[N+](=NC4=C(C=NN34)I)[O-]

InChI

InChI=1S/C17H13IN4O3/c1-24-16-5-3-2-4-11(16)10-25-12-6-7-14-15(8-12)21-17(20-22(14)23)13(18)9-19-21/h2-9H,10H2,1H3