5-methyl-5-nitro-1-oxidanyl-hexan-3-one

Systemtic Name: 5-methyl-5-nitro-1-oxidanyl-hexan-3-one Openeye Name: 1-hydroxy-5-methyl-5-nitro-hexan-3-one CAS Name: 1-hydroxy-5-methyl-5-nitro-3-hexanone IUPAC Name: 1-hydroxy-5-methyl-5-nitrohexan-3-one Traditional Name: 1-hydroxy-5-methyl-5-nitro-hexan-3-one Formula: C7H13NO4 MolecularWeight: 175.18242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)CCO)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)CCO)[N+](=O)[O-]

InChI

InChI=1S/C7H13NO4/c1-7(2,8(11)12)5-6(10)3-4-9/h9H,3-5H2,1-2H3