5-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 5-nitro-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: (5-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)amine Formula: C7H5N5O3 MolecularWeight: 207.1463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5N5O3/c8-7-9-6-4(11(13)10-7)2-1-3-5(6)12(14)15/h1-3H,(H2,8,9,10)