4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)benzenecarbonitrile

Systemtic Name: 4-(5,7-ditert-butyl-2-oxidanylidene-3H-1-benzofuran-3-yl)benzenecarbonitrile Openeye Name: 4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)benzonitrile CAS Name: 4-(5,7-ditert-butyl-2-oxo-3H-benzofuran-3-yl)benzonitrile IUPAC Name: 4-(5,7-ditert-butyl-2-oxo-3H-1-benzofuran-3-yl)benzonitrile Traditional Name: 4-(5,7-ditert-butyl-2-keto-coumaran-3-yl)benzonitrile Formula: C23H25NO2 MolecularWeight: 347.4501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)C(C(=O)O2)C3=CC=C(C=C3)C#N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)C(C(=O)O2)C3=CC=C(C=C3)C#N)C(C)(C)C

InChI

InChI=1S/C23H25NO2/c1-22(2,3)16-11-17-19(15-9-7-14(13-24)8-10-15)21(25)26-20(17)18(12-16)23(4,5)6/h7-12,19H,1-6H3