5-bromanyl-2-(pyridin-4-ylmethoxy)benzoate

Systemtic Name: 5-bromanyl-2-(pyridin-4-ylmethoxy)benzoate Openeye Name: 5-bromo-2-(4-pyridylmethoxy)benzoate CAS Name: 5-bromo-2-(pyridin-4-ylmethoxy)benzoate IUPAC Name: 5-bromo-2-(pyridin-4-ylmethoxy)benzoate Traditional Name: 5-bromo-2-(4-pyridylmethoxy)benzoate Formula: C13H9BrNO3- MolecularWeight: 307.11946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)[O-])OCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)[O-])OCC2=CC=NC=C2

InChI

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