ethanenitrile; 2-oxidanylidene-2-prop-2-enylperoxy-ethanoic acid

Systemtic Name: ethanenitrile; 2-oxidanylidene-2-prop-2-enylperoxy-ethanoic acid Openeye Name: acetonitrile; 2-allylperoxy-2-oxo-acetic acid CAS Name: acetonitrile; 2-oxo-2-prop-2-enyldioxyacetic acid IUPAC Name: acetonitrile; 2-oxo-2-prop-2-enylperoxyacetic acid Traditional Name: acetonitrile; 2-allylperoxy-2-keto-acetic acid Formula: C7H9NO5 MolecularWeight: 187.15006

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Descriptors Computed from Structure

Canonical SMILES:

CC#N.C=CCOOC(=O)C(=O)O

Isomeric SMILES

CC#N.C=CCOOC(=O)C(=O)O

InChI

InChI=1S/C5H6O5.C2H3N/c1-2-3-9-10-5(8)4(6)7;1-2-3/h2H,1,3H2,(H,6,7);1H3