2-fluoranyl-1-(3-nitro-1,2,4-triazol-1-yl)-6,7-bis(oxidanyl)heptan-4-one

Systemtic Name: 2-fluoranyl-1-(3-nitro-1,2,4-triazol-1-yl)-6,7-bis(oxidanyl)heptan-4-one Openeye Name: 6-fluoro-1,2-dihydroxy-7-(3-nitro-1,2,4-triazol-1-yl)heptan-4-one CAS Name: 6-fluoro-1,2-dihydroxy-7-(3-nitro-1,2,4-triazol-1-yl)-4-heptanone IUPAC Name: 6-fluoro-1,2-dihydroxy-7-(3-nitro-1,2,4-triazol-1-yl)heptan-4-one Traditional Name: 6-fluoro-1,2-dihydroxy-7-(3-nitro-1,2,4-triazol-1-yl)heptan-4-one Formula: C9H13FN4O5 MolecularWeight: 276.221723

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=NN1CC(CC(=O)CC(CO)O)F)[N+](=O)[O-]

Isomeric SMILES

C1=NC(=NN1CC(CC(=O)CC(CO)O)F)[N+](=O)[O-]

InChI

InChI=1S/C9H13FN4O5/c10-6(1-7(16)2-8(17)4-15)3-13-5-11-9(12-13)14(18)19/h5-6,8,15,17H,1-4H2