2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanenitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxyethanenitrile Openeye Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxyacetonitrile CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxy]acetonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxyacetonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxyacetonitrile Formula: C21H18ClNO3 MolecularWeight: 367.82552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC#N

InChI

InChI=1S/C21H18ClNO3/c1-21(2,3)14-6-4-13(5-7-14)19-20(25-11-10-23)18(24)16-12-15(22)8-9-17(16)26-19/h4-9,12H,11H2,1-3H3