3-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoic acid Openeye Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzoic acid CAS Name: 3-[(2-oxo-1-pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(2-oxopyrimidin-1-yl)methyl]benzoic acid Traditional Name: 3-[(2-ketopyrimidin-1-yl)methyl]benzoic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

Click to see the large picture

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)