methyl 4-(cyanomethyl)-5,5-dimethyl-2-oxidanylidene-furan-3-carboxylate

Systemtic Name: methyl 4-(cyanomethyl)-5,5-dimethyl-2-oxidanylidene-furan-3-carboxylate Openeye Name: methyl 4-(cyanomethyl)-5,5-dimethyl-2-oxo-furan-3-carboxylate CAS Name: 4-(cyanomethyl)-5,5-dimethyl-2-oxo-3-furancarboxylic acid methyl ester IUPAC Name: methyl 4-(cyanomethyl)-5,5-dimethyl-2-oxofuran-3-carboxylate Traditional Name: 4-(cyanomethyl)-2-keto-5,5-dimethyl-furan-3-carboxylic acid methyl ester Formula: C10H11NO4 MolecularWeight: 209.19864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C(=O)OC)CC#N)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)C(=O)OC)CC#N)C

InChI

InChI=1S/C10H11NO4/c1-10(2)6(4-5-11)7(8(12)14-3)9(13)15-10/h4H2,1-3H3