3-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]benzoate

Systemtic Name: 3-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]benzoate Openeye Name: 3-[(5-bromo-2-oxo-1-pyridyl)methyl]benzoate CAS Name: 3-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzoate IUPAC Name: 3-[(5-bromo-2-oxopyridin-1-yl)methyl]benzoate Traditional Name: 3-[(5-bromo-2-keto-1-pyridyl)methyl]benzoate Formula: C13H9BrNO3- MolecularWeight: 307.11946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=CC2=O)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=CC2=O)Br)C(=O)[O-]

InChI

InChI=1S/C13H10BrNO3/c14-11-4-5-12(16)15(8-11)7-9-2-1-3-10(6-9)13(17)18/h1-6,8H,7H2,(H,17,18)/p-1