2-(3,5-dinitro-1,2,4-triazol-1-yl)cyclohexan-1-one

Systemtic Name: 2-(3,5-dinitro-1,2,4-triazol-1-yl)cyclohexan-1-one Openeye Name: 2-(3,5-dinitro-1,2,4-triazol-1-yl)cyclohexanone CAS Name: 2-(3,5-dinitro-1,2,4-triazol-1-yl)-1-cyclohexanone IUPAC Name: 2-(3,5-dinitro-1,2,4-triazol-1-yl)cyclohexan-1-one Traditional Name: 2-(3,5-dinitro-1,2,4-triazol-1-yl)cyclohexanone Formula: C8H9N5O5 MolecularWeight: 255.18756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)N2C(=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)C(C1)N2C(=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H9N5O5/c14-6-4-2-1-3-5(6)11-8(13(17)18)9-7(10-11)12(15)16/h5H,1-4H2