3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoic acid Openeye Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]benzoic acid CAS Name: 3-[(2,4-dioxo-1-pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(2,4-dioxopyrimidin-1-yl)methyl]benzoic acid Traditional Name: 3-[(2,4-diketopyrimidin-1-yl)methyl]benzoic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=CC(=O)NC2=O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=CC(=O)NC2=O)C(=O)O

InChI

InChI=1S/C12H10N2O4/c15-10-4-5-14(12(18)13-10)7-8-2-1-3-9(6-8)11(16)17/h1-6H,7H2,(H,16,17)(H,13,15,18)