5-bromanyl-3-tert-butyl-7-methyl-1-oxidanidyl-1,2,3,4-benzotetrazine-1,3-diium tetrafluoroborate

Systemtic Name: 5-bromanyl-3-tert-butyl-7-methyl-1-oxidanidyl-1,2,3,4-benzotetrazine-1,3-diium tetrafluoroborate Openeye Name: 5-bromo-3-tert-butyl-7-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium tetrafluoroborate CAS Name: 5-bromo-3-tert-butyl-7-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium tetrafluoroborate IUPAC Name: 5-bromo-3-tert-butyl-7-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium tetrafluoroborate Traditional Name: 5-bromo-3-tert-butyl-7-methyl-1-oxido-1,2,3,4-benzotetrazine-1,3-diium tetrafluoroborate Formula: C11H14BBrF4N4O MolecularWeight: 384.963673

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=C(C(=C1)Br)N=[N+](N=[N+]2[O-])C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=C(C(=C1)Br)N=[N+](N=[N+]2[O-])C(C)(C)C

InChI

InChI=1S/C11H14BrN4O.BF4/c1-7-5-8(12)10-9(6-7)15(17)14-16(13-10)11(2,3)4;2-1(3,4)5/h5-6H,1-4H3;/q+1;-1