4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoate

Systemtic Name: 4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoate Openeye Name: 4-[(2-oxopyrimidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrimidinyl)methyl]benzoate IUPAC Name: 4-[(2-oxopyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[(2-ketopyrimidin-1-yl)methyl]benzoate Formula: C12H9N2O3- MolecularWeight: 229.21146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CN(C(=O)N=C1)CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H10N2O3/c15-11(16)10-4-2-9(3-5-10)8-14-7-1-6-13-12(14)17/h1-7H,8H2,(H,15,16)/p-1