4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[2-(1-adamantyl)-2-oxidanylidene-ethoxy]-3-chloranyl-benzenecarbonitrile Openeye Name: 4-[2-(1-adamantyl)-2-oxo-ethoxy]-3-chloro-benzonitrile CAS Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-3-chlorobenzonitrile IUPAC Name: 4-[2-(1-adamantyl)-2-oxoethoxy]-3-chlorobenzonitrile Traditional Name: 4-[2-(1-adamantyl)-2-keto-ethoxy]-3-chloro-benzonitrile Formula: C19H20ClNO2 MolecularWeight: 329.8206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C19H20ClNO2/c20-16-6-12(10-21)1-2-17(16)23-11-18(22)19-7-13-3-14(8-19)5-15(4-13)9-19/h1-2,6,13-15H,3-5,7-9,11H2