4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-oxidanylidenepyrimidin-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-oxopyrimidin-1-yl)methyl]benzoic acid CAS Name: 4-[(2-oxo-1-pyrimidinyl)methyl]benzoic acid IUPAC Name: 4-[(2-oxopyrimidin-1-yl)methyl]benzoic acid Traditional Name: 4-[(2-ketopyrimidin-1-yl)methyl]benzoic acid Formula: C12H10N2O3 MolecularWeight: 230.2194

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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)