2-[2,6-bis(oxidanylidene)cyclohexyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 2-[2,6-bis(oxidanylidene)cyclohexyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 3-chloro-2-(2,6-dioxocyclohexyl)benzonitrile CAS Name: 3-chloro-2-(2,6-dioxocyclohexyl)benzonitrile IUPAC Name: 3-chloro-2-(2,6-dioxocyclohexyl)benzonitrile Traditional Name: 3-chloro-2-(2,6-diketocyclohexyl)benzonitrile Formula: C13H10ClNO2 MolecularWeight: 247.677

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=C(C=CC=C2Cl)C#N

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=C(C=CC=C2Cl)C#N

InChI

InChI=1S/C13H10ClNO2/c14-9-4-1-3-8(7-15)12(9)13-10(16)5-2-6-11(13)17/h1,3-4,13H,2,5-6H2