1H-imidazol-5-ylmethyl 3-oxidanylidenebutanoate

Systemtic Name: 1H-imidazol-5-ylmethyl 3-oxidanylidenebutanoate Openeye Name: 1H-imidazol-5-ylmethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 1H-imidazol-5-ylmethyl ester IUPAC Name: 1H-imidazol-5-ylmethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 1H-imidazol-5-ylmethyl ester Formula: C8H10N2O3 MolecularWeight: 182.1766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCC1=CN=CN1

Isomeric SMILES

CC(=O)CC(=O)OCC1=CN=CN1

InChI

InChI=1S/C8H10N2O3/c1-6(11)2-8(12)13-4-7-3-9-5-10-7/h3,5H,2,4H2,1H3,(H,9,10)