2-(2-chloranyl-6-fluoranyl-phenyl)-3-oxidanylidene-heptanenitrile

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-3-oxidanylidene-heptanenitrile Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-3-oxo-heptanenitrile CAS Name: 2-(2-chloro-6-fluorophenyl)-3-oxoheptanenitrile IUPAC Name: 2-(2-chloro-6-fluorophenyl)-3-oxoheptanenitrile Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-3-keto-enanthonitrile Formula: C13H13ClFNO MolecularWeight: 253.699823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(C#N)C1=C(C=CC=C1Cl)F

Isomeric SMILES

CCCCC(=O)C(C#N)C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H13ClFNO/c1-2-3-7-12(17)9(8-16)13-10(14)5-4-6-11(13)15/h4-6,9H,2-3,7H2,1H3