7-nitro-1-oxidanidyl-4-oxidanyl-N-phenyl-1,2,4-benzotriazin-1-ium-3-imine

Systemtic Name: 7-nitro-1-oxidanidyl-4-oxidanyl-N-phenyl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: 4-hydroxy-7-nitro-1-oxido-N-phenyl-1,2,4-benzotriazin-1-ium-3-imine CAS Name: 4-hydroxy-7-nitro-1-oxido-N-phenyl-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: 4-hydroxy-7-nitro-1-oxido-N-phenyl-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: (4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)-phenyl-amine Formula: C13H9N5O4 MolecularWeight: 299.24166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C2N=[N+](C3=C(N2O)C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)N=C2N=[N+](C3=C(N2O)C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H9N5O4/c19-16-11-7-6-10(18(21)22)8-12(11)17(20)15-13(16)14-9-4-2-1-3-5-9/h1-8,19H