3-[3-(2-cyanoethyl)-2-methyl-4-oxidanylidene-2-propyl-chromen-3-yl]propanenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N)C

Isomeric SMILES

CCCC1(C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N)C

InChI

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