3-iodanyl-6-methoxy-7-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium

Systemtic Name: 3-iodanyl-6-methoxy-7-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium Openeye Name: 3-iodo-6-methoxy-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium CAS Name: 3-iodo-6-methoxy-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium IUPAC Name: 3-iodo-6-methoxy-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium Traditional Name: 3-iodo-6-methoxy-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium Formula: C9H8IN3O2 MolecularWeight: 317.08319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)N=C(N=[N+]2[O-])I

Isomeric SMILES

CC1=CC2=C(C=C1OC)N=C(N=[N+]2[O-])I

InChI

InChI=1S/C9H8IN3O2/c1-5-3-7-6(4-8(5)15-2)11-9(10)12-13(7)14/h3-4H,1-2H3