3-[3-(2-cyanoethyl)-4-oxidanylidene-2-propan-2-yl-2H-chromen-3-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethyl)-4-oxidanylidene-2-propan-2-yl-2H-chromen-3-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethyl)-2-isopropyl-4-oxo-chroman-3-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethyl)-4-oxo-2-propan-2-yl-3,4-dihydro-2H-1-benzopyran-3-yl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethyl)-4-oxo-2-propan-2-yl-2H-chromen-3-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethyl)-2-isopropyl-4-keto-chroman-3-yl]propionitrile Formula: C18H20N2O2 MolecularWeight: 296.3636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N

Isomeric SMILES

CC(C)C1C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N

InChI

InChI=1S/C18H20N2O2/c1-13(2)17-18(9-5-11-19,10-6-12-20)16(21)14-7-3-4-8-15(14)22-17/h3-4,7-8,13,17H,5-6,9-10H2,1-2H3