5-bromanyl-7-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 5-bromanyl-7-methyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 5-bromo-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 5-bromo-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 5-bromo-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (5-bromo-7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C8H7BrN4O MolecularWeight: 255.07138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7BrN4O/c1-4-2-5(9)7-6(3-4)13(14)12-8(10)11-7/h2-3H,1H3,(H2,10,11,12)