(E)-3-cyano-4-methylperoxy-but-2-en-2-olate

Systemtic Name: (E)-3-cyano-4-methylperoxy-but-2-en-2-olate Openeye Name: (E)-3-cyano-4-methylperoxy-but-2-en-2-olate CAS Name: (E)-3-cyano-4-methyldioxy-2-buten-2-olate IUPAC Name: (E)-3-cyano-4-methylperoxybut-2-en-2-olate Traditional Name: (E)-3-cyano-4-methylperoxy-but-2-en-2-olate Formula: C6H8NO3- MolecularWeight: 142.13262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(COOC)C#N)[O-]

Isomeric SMILES

C/C(=C(\COOC)/C#N)/[O-]

InChI

InChI=1S/C6H9NO3/c1-5(8)6(3-7)4-10-9-2/h8H,4H2,1-2H3/p-1/b6-5+