4-(4-cyanophenyl)-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-cyanophenyl)-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-cyanophenyl)-3-methyl-4-oxo-butanoic acid CAS Name: 4-(4-cyanophenyl)-3-methyl-4-oxobutanoic acid IUPAC Name: 4-(4-cyanophenyl)-3-methyl-4-oxobutanoic acid Traditional Name: 4-(4-cyanophenyl)-4-keto-3-methyl-butyric acid Formula: C12H11NO3 MolecularWeight: 217.22064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C12H11NO3/c1-8(6-11(14)15)12(16)10-4-2-9(7-13)3-5-10/h2-5,8H,6H2,1H3,(H,14,15)