2-[4-butanoyl-2,3-bis(chloranyl)phenoxy]ethanenitrile

Systemtic Name: 2-[4-butanoyl-2,3-bis(chloranyl)phenoxy]ethanenitrile Openeye Name: 2-(4-butanoyl-2,3-dichloro-phenoxy)acetonitrile CAS Name: 2-[2,3-dichloro-4-(1-oxobutyl)phenoxy]acetonitrile IUPAC Name: 2-(4-butanoyl-2,3-dichlorophenoxy)acetonitrile Traditional Name: 2-(4-butyryl-2,3-dichloro-phenoxy)acetonitrile Formula: C12H11Cl2NO2 MolecularWeight: 272.12724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1)OCC#N)Cl)Cl

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1)OCC#N)Cl)Cl

InChI

InChI=1S/C12H11Cl2NO2/c1-2-3-9(16)8-4-5-10(17-7-6-15)12(14)11(8)13/h4-5H,2-3,7H2,1H3