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

Systemtic Name: 3-[[3-bromanyl-2-oxidanylidene-5-(2-phenoxyethyl)-1H-pyridin-4-yl]oxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[[3-bromo-2-oxo-5-(2-phenoxyethyl)-1H-pyridin-4-yl]oxy]-5-chloro-benzonitrile CAS Name: 3-[[3-bromo-2-oxo-5-(2-phenoxyethyl)-1H-pyridin-4-yl]oxy]-5-chlorobenzonitrile IUPAC Name: 3-[[3-bromo-2-oxo-5-(2-phenoxyethyl)-1H-pyridin-4-yl]oxy]-5-chlorobenzonitrile Traditional Name: 3-[[3-bromo-2-keto-5-(2-phenoxyethyl)-1H-pyridin-4-yl]oxy]-5-chloro-benzonitrile Formula: C20H14BrClN2O3 MolecularWeight: 445.69376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrClN2O3/c21-18-19(27-17-9-13(11-23)8-15(22)10-17)14(12-24-20(18)25)6-7-26-16-4-2-1-3-5-16/h1-5,8-10,12H,6-7H2,(H,24,25)