7-(3-nitrophenyl)sulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine

Systemtic Name: 7-(3-nitrophenyl)sulfonyl-1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-amine Openeye Name: 7-(3-nitrophenyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine CAS Name: 7-(3-nitrophenyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine IUPAC Name: 7-(3-nitrophenyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine Traditional Name: [7-(3-nitrophenyl)sulfonyl-1-oxido-1,2,4-benzotriazin-1-ium-3-yl]amine Formula: C13H9N5O5S MolecularWeight: 347.30606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O5S/c14-13-15-11-5-4-10(7-12(11)17(19)16-13)24(22,23)9-3-1-2-8(6-9)18(20)21/h1-7H,(H2,14,15,16)