5-nitrooctan-4-one

Systemtic Name: 5-nitrooctan-4-one Openeye Name: 5-nitrooctan-4-one CAS Name: 5-nitro-4-octanone IUPAC Name: 5-nitrooctan-4-one Traditional Name: 5-nitrooctan-4-one Formula: C8H15NO3 MolecularWeight: 173.2096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)CCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)CCC)[N+](=O)[O-]

InChI

InChI=1S/C8H15NO3/c1-3-5-7(9(11)12)8(10)6-4-2/h7H,3-6H2,1-2H3