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

Systemtic Name: N-cyclohexyl-7-nitro-1-oxidanidyl-4-oxidanyl-1,2,4-benzotriazin-1-ium-3-imine Openeye Name: N-cyclohexyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine CAS Name: N-cyclohexyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine IUPAC Name: N-cyclohexyl-4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-imine Traditional Name: cyclohexyl-(4-hydroxy-7-nitro-1-oxido-1,2,4-benzotriazin-1-ium-3-ylidene)amine Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C2N=[N+](C3=C(N2O)C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CCC(CC1)N=C2N=[N+](C3=C(N2O)C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H15N5O4/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/h6-9,19H,1-5H2