4-[4-(5-bromanylpyridin-2-yl)oxyphenoxy]-2-(2-chloranyl-4-methyl-phenyl)-3-oxidanylidene-pentanenitrile

Systemtic Name: 4-[4-(5-bromanylpyridin-2-yl)oxyphenoxy]-2-(2-chloranyl-4-methyl-phenyl)-3-oxidanylidene-pentanenitrile Openeye Name: 4-[4-[(5-bromo-2-pyridyl)oxy]phenoxy]-2-(2-chloro-4-methyl-phenyl)-3-oxo-pentanenitrile CAS Name: 4-[4-[(5-bromo-2-pyridinyl)oxy]phenoxy]-2-(2-chloro-4-methylphenyl)-3-oxopentanenitrile IUPAC Name: 4-[4-(5-bromopyridin-2-yl)oxyphenoxy]-2-(2-chloro-4-methylphenyl)-3-oxopentanenitrile Traditional Name: 4-[4-[(5-bromo-2-pyridyl)oxy]phenoxy]-2-(2-chloro-4-methyl-phenyl)-3-keto-valeronitrile Formula: C23H18BrClN2O3 MolecularWeight: 485.75762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C#N)C(=O)C(C)OC2=CC=C(C=C2)OC3=NC=C(C=C3)Br)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C#N)C(=O)C(C)OC2=CC=C(C=C2)OC3=NC=C(C=C3)Br)Cl

InChI

InChI=1S/C23H18BrClN2O3/c1-14-3-9-19(21(25)11-14)20(12-26)23(28)15(2)29-17-5-7-18(8-6-17)30-22-10-4-16(24)13-27-22/h3-11,13,15,20H,1-2H3