5,5-dimethyl-6-(nitromethyl)oxan-2-one

Systemtic Name: 5,5-dimethyl-6-(nitromethyl)oxan-2-one Openeye Name: 5,5-dimethyl-6-(nitromethyl)tetrahydropyran-2-one CAS Name: 5,5-dimethyl-6-(nitromethyl)-2-oxanone IUPAC Name: 5,5-dimethyl-6-(nitromethyl)oxan-2-one Traditional Name: 5,5-dimethyl-6-(nitromethyl)tetrahydropyran-2-one Formula: C8H13NO4 MolecularWeight: 187.19312

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)OC1C[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC(=O)OC1C[N+](=O)[O-])C

InChI

InChI=1S/C8H13NO4/c1-8(2)4-3-7(10)13-6(8)5-9(11)12/h6H,3-5H2,1-2H3