4-(1-bromanyl-4-chloranyl-3,3-dimethyl-2-oxidanylidene-butoxy)benzenecarbonitrile

Systemtic Name: 4-(1-bromanyl-4-chloranyl-3,3-dimethyl-2-oxidanylidene-butoxy)benzenecarbonitrile Openeye Name: 4-(1-bromo-4-chloro-3,3-dimethyl-2-oxo-butoxy)benzonitrile CAS Name: 4-(1-bromo-4-chloro-3,3-dimethyl-2-oxobutoxy)benzonitrile IUPAC Name: 4-(1-bromo-4-chloro-3,3-dimethyl-2-oxobutoxy)benzonitrile Traditional Name: 4-(1-bromo-4-chloro-2-keto-3,3-dimethyl-butoxy)benzonitrile Formula: C13H13BrClNO2 MolecularWeight: 330.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)C(OC1=CC=C(C=C1)C#N)Br

Isomeric SMILES

CC(C)(CCl)C(=O)C(OC1=CC=C(C=C1)C#N)Br

InChI

InChI=1S/C13H13BrClNO2/c1-13(2,8-15)11(17)12(14)18-10-5-3-9(7-16)4-6-10/h3-6,12H,8H2,1-2H3