3-[3-(2-cyanoethyl)-2,2-dimethyl-4-oxidanylidene-chromen-3-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethyl)-2,2-dimethyl-4-oxidanylidene-chromen-3-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethyl)-2,2-dimethyl-4-oxo-chroman-3-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethyl)-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethyl)-2,2-dimethyl-4-oxochromen-3-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethyl)-4-keto-2,2-dimethyl-chroman-3-yl]propionitrile Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N)C

Isomeric SMILES

CC1(C(C(=O)C2=CC=CC=C2O1)(CCC#N)CCC#N)C

InChI

InChI=1S/C17H18N2O2/c1-16(2)17(9-5-11-18,10-6-12-19)15(20)13-7-3-4-8-14(13)21-16/h3-4,7-8H,5-6,9-10H2,1-2H3