2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanenitrile

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanenitrile Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-chromen-7-yl]oxyacetonitrile CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl]oxyacetonitrile Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-6-propyl-chromen-7-yl]oxyacetonitrile Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC#N

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)OCC#N

InChI

InChI=1S/C22H19NO5/c1-2-3-15-10-16-20(12-19(15)25-7-6-23)28-13-17(22(16)24)14-4-5-18-21(11-14)27-9-8-26-18/h4-5,10-13H,2-3,7-9H2,1H3