4-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]benzoate

Systemtic Name: 4-[(5-bromanyl-2-oxidanylidene-pyridin-1-yl)methyl]benzoate Openeye Name: 4-[(5-bromo-2-oxo-1-pyridyl)methyl]benzoate CAS Name: 4-[(5-bromo-2-oxo-1-pyridinyl)methyl]benzoate IUPAC Name: 4-[(5-bromo-2-oxopyridin-1-yl)methyl]benzoate Traditional Name: 4-[(5-bromo-2-keto-1-pyridyl)methyl]benzoate Formula: C13H9BrNO3- MolecularWeight: 307.11946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=CC2=O)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=CC2=O)Br)C(=O)[O-]

InChI

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