(2-methyl-2-nitro-6-oxidanyl-hexan-3-yl) ethanoate

Systemtic Name: (2-methyl-2-nitro-6-oxidanyl-hexan-3-yl) ethanoate Openeye Name: [4-hydroxy-1-(1-methyl-1-nitro-ethyl)butyl] acetate CAS Name: acetic acid (6-hydroxy-2-methyl-2-nitrohexan-3-yl) ester IUPAC Name: (6-hydroxy-2-methyl-2-nitrohexan-3-yl) acetate Traditional Name: acetic acid [4-hydroxy-1-(1-methyl-1-nitro-ethyl)butyl] ester Formula: C9H17NO5 MolecularWeight: 219.23498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCCO)C(C)(C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC(CCCO)C(C)(C)[N+](=O)[O-]

InChI

InChI=1S/C9H17NO5/c1-7(12)15-8(5-4-6-11)9(2,3)10(13)14/h8,11H,4-6H2,1-3H3