[(E)-1-nitrooct-1-en-3-yl] ethanoate

Systemtic Name: [(E)-1-nitrooct-1-en-3-yl] ethanoate Openeye Name: 1-[(E)-2-nitrovinyl]hexyl acetate CAS Name: acetic acid [(E)-1-nitrooct-1-en-3-yl] ester IUPAC Name: [(E)-1-nitrooct-1-en-3-yl] acetate Traditional Name: acetic acid [(E)-1-amyl-3-nitro-allyl] ester Formula: C10H17NO4 MolecularWeight: 215.24628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=C[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCCCCC(/C=C/[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C10H17NO4/c1-3-4-5-6-10(15-9(2)12)7-8-11(13)14/h7-8,10H,3-6H2,1-2H3/b8-7+