tert-butyl 2-(4-cyanophenyl)carbonyl-3-methyl-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 2-(4-cyanophenyl)carbonyl-3-methyl-4-oxidanylidene-butanoate Openeye Name: tert-butyl 2-(4-cyanobenzoyl)-3-methyl-4-oxo-butanoate CAS Name: 2-[(4-cyanophenyl)-oxomethyl]-3-methyl-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-cyanobenzoyl)-3-methyl-4-oxobutanoate Traditional Name: 2-(4-cyanobenzoyl)-4-keto-3-methyl-butyric acid tert-butyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-11(10-19)14(16(21)22-17(2,3)4)15(20)13-7-5-12(9-18)6-8-13/h5-8,10-11,14H,1-4H3