tert-butyl 4-[2-(6-oxidanylidene-1H-pyrimidin-5-yl)ethynyl]benzoate

Systemtic Name: tert-butyl 4-[2-(6-oxidanylidene-1H-pyrimidin-5-yl)ethynyl]benzoate Openeye Name: tert-butyl 4-[2-(6-oxo-1H-pyrimidin-5-yl)ethynyl]benzoate CAS Name: 4-[2-(6-oxo-1H-pyrimidin-5-yl)ethynyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-oxo-1H-pyrimidin-5-yl)ethynyl]benzoate Traditional Name: 4-[2-(6-keto-1H-pyrimidin-5-yl)ethynyl]benzoic acid tert-butyl ester Formula: C17H16N2O3 MolecularWeight: 296.32054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#CC2=CN=CNC2=O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C#CC2=CN=CNC2=O

InChI

InChI=1S/C17H16N2O3/c1-17(2,3)22-16(21)13-7-4-12(5-8-13)6-9-14-10-18-11-19-15(14)20/h4-5,7-8,10-11H,1-3H3,(H,18,19,20)