3-[[3-bromanyl-2-oxidanylidene-5-(2-pyridin-3-yloxyethyl)-1H-pyridin-4-yl]oxy]-5-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[[3-bromanyl-2-oxidanylidene-5-(2-pyridin-3-yloxyethyl)-1H-pyridin-4-yl]oxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[[3-bromo-2-oxo-5-[2-(3-pyridyloxy)ethyl]-1H-pyridin-4-yl]oxy]-5-chloro-benzonitrile CAS Name: 3-[[3-bromo-2-oxo-5-[2-(3-pyridinyloxy)ethyl]-1H-pyridin-4-yl]oxy]-5-chlorobenzonitrile IUPAC Name: 3-[[3-bromo-2-oxo-5-(2-pyridin-3-yloxyethyl)-1H-pyridin-4-yl]oxy]-5-chlorobenzonitrile Traditional Name: 3-[[3-bromo-2-keto-5-[2-(3-pyridyloxy)ethyl]-1H-pyridin-4-yl]oxy]-5-chloro-benzonitrile Formula: C19H13BrClN3O3 MolecularWeight: 446.68182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OCCC2=CNC(=O)C(=C2OC3=CC(=CC(=C3)C#N)Cl)Br

Isomeric SMILES

C1=CC(=CN=C1)OCCC2=CNC(=O)C(=C2OC3=CC(=CC(=C3)C#N)Cl)Br

InChI

InChI=1S/C19H13BrClN3O3/c20-17-18(27-16-7-12(9-22)6-14(21)8-16)13(10-24-19(17)25)3-5-26-15-2-1-4-23-11-15/h1-2,4,6-8,10-11H,3,5H2,(H,24,25)