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

Systemtic Name: 3-[2-butan-2-yl-3-(2-cyanoethyl)-4-oxidanylidene-2H-chromen-3-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethyl)-4-oxo-2-sec-butyl-chroman-3-yl]propanenitrile CAS Name: 3-[2-butan-2-yl-3-(2-cyanoethyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]propanenitrile IUPAC Name: 3-[2-butan-2-yl-3-(2-cyanoethyl)-4-oxo-2H-chromen-3-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethyl)-4-keto-2-sec-butyl-chroman-3-yl]propionitrile Formula: C19H22N2O2 MolecularWeight: 310.39018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2/c1-3-14(2)18-19(10-6-12-20,11-7-13-21)17(22)15-8-4-5-9-16(15)23-18/h4-5,8-9,14,18H,3,6-7,10-11H2,1-2H3