2-cyanoethanoate; 3-oxidanylidenebutanoate

Systemtic Name: 2-cyanoethanoate; 3-oxidanylidenebutanoate Openeye Name: 2-cyanoacetate; 3-oxobutanoate CAS Name: 2-cyanoacetate; 3-oxobutanoate IUPAC Name: 2-cyanoacetate; 3-oxobutanoate Traditional Name: acetoacetate; 2-cyanoacetate Formula: C7H7NO5-2 MolecularWeight: 185.13418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O3.C3H3NO2/c1-3(5)2-4(6)7;4-2-1-3(5)6/h2H2,1H3,(H,6,7);1H2,(H,5,6)/p-2