5-bromanyl-7-methoxy-1-oxidanidyl-1,2,3,4-benzotetrazin-1-ium

Systemtic Name: 5-bromanyl-7-methoxy-1-oxidanidyl-1,2,3,4-benzotetrazin-1-ium Openeye Name: 5-bromo-7-methoxy-1-oxido-1,2,3,4-benzotetrazin-1-ium CAS Name: 5-bromo-7-methoxy-1-oxido-1,2,3,4-benzotetrazin-1-ium IUPAC Name: 5-bromo-7-methoxy-1-oxido-1,2,3,4-benzotetrazin-1-ium Traditional Name: 5-bromo-7-methoxy-1-oxido-1,2,3,4-benzotetrazin-1-ium Formula: C7H5BrN4O2 MolecularWeight: 257.0442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)[N+](=NN=N2)[O-])Br

Isomeric SMILES

COC1=CC(=C2C(=C1)[N+](=NN=N2)[O-])Br

InChI

InChI=1S/C7H5BrN4O2/c1-14-4-2-5(8)7-6(3-4)12(13)11-10-9-7/h2-3H,1H3