1-(3-nitro-5-oxidanyl-1-adamantyl)ethanone

Systemtic Name: 1-(3-nitro-5-oxidanyl-1-adamantyl)ethanone Openeye Name: 1-(3-hydroxy-5-nitro-1-adamantyl)ethanone CAS Name: 1-(3-hydroxy-5-nitro-1-adamantyl)ethanone IUPAC Name: 1-(3-hydroxy-5-nitro-1-adamantyl)ethanone Traditional Name: 1-(3-hydroxy-5-nitro-1-adamantyl)ethanone Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C12CC3CC(C1)(CC(C3)(C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C12CC3CC(C1)(CC(C3)(C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H17NO4/c1-8(14)10-2-9-3-11(5-10,13(16)17)7-12(15,4-9)6-10/h9,15H,2-7H2,1H3