4-[3,5-bis(oxidanylidene)cyclohexyl]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[3,5-bis(oxidanylidene)cyclohexyl]-3-chloranyl-benzenecarbonitrile Openeye Name: 3-chloro-4-(3,5-dioxocyclohexyl)benzonitrile CAS Name: 3-chloro-4-(3,5-dioxocyclohexyl)benzonitrile IUPAC Name: 3-chloro-4-(3,5-dioxocyclohexyl)benzonitrile Traditional Name: 3-chloro-4-(3,5-diketocyclohexyl)benzonitrile Formula: C13H10ClNO2 MolecularWeight: 247.677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)CC1=O)C2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

C1C(CC(=O)CC1=O)C2=C(C=C(C=C2)C#N)Cl

InChI

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