(2Z)-2-(cyanomethylidene)-4-oxidanyl-3-oxidanylidene-hexanoate

Systemtic Name: (2Z)-2-(cyanomethylidene)-4-oxidanyl-3-oxidanylidene-hexanoate Openeye Name: (2Z)-2-(cyanomethylene)-4-hydroxy-3-oxo-hexanoate CAS Name: (2Z)-2-(cyanomethylidene)-4-hydroxy-3-oxohexanoate IUPAC Name: (2Z)-2-(cyanomethylidene)-4-hydroxy-3-oxohexanoate Traditional Name: (Z)-3-cyano-2-(2-hydroxybutanoyl)acrylate Formula: C8H8NO4- MolecularWeight: 182.15342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C(=O)/C(=C/C#N)/C(=O)[O-])O

InChI

InChI=1S/C8H9NO4/c1-2-6(10)7(11)5(3-4-9)8(12)13/h3,6,10H,2H2,1H3,(H,12,13)/p-1/b5-3-