3-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoate

Systemtic Name: 3-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoate Openeye Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzoate CAS Name: 3-[(2-oxo-1-pyrimidinyl)methyl]benzoate IUPAC Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzoate Traditional Name: 3-[(2-ketopyrimidin-1-yl)methyl]benzoate Formula: C12H9N2O3- MolecularWeight: 229.21146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC=NC2=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC=NC2=O)C(=O)[O-]

InChI

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