3-iodanyl-7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 3-iodanyl-7-methoxy-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 3-iodo-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 3-iodo-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 3-iodo-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-iodo-7-methoxy-1-oxido-1,2,4-benzotriazin-1-ium Formula: C8H6IN3O2 MolecularWeight: 303.05661

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N=[N+]2[O-])I

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N=[N+]2[O-])I

InChI

InChI=1S/C8H6IN3O2/c1-14-5-2-3-6-7(4-5)12(13)11-8(9)10-6/h2-4H,1H3