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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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