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

Systemtic Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-6-propyl-chromen-7-yl]oxyethanenitrile Openeye Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-chromen-7-yl]oxyacetonitrile CAS Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propyl-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-6-propylchromen-7-yl]oxyacetonitrile Traditional Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-6-propyl-chromen-7-yl]oxyacetonitrile Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OCC#N

Isomeric SMILES

CCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)OCC#N

InChI

InChI=1S/C23H21NO5/c1-3-4-15-11-17-20(13-19(15)26-8-7-24)29-14(2)22(23(17)25)16-5-6-18-21(12-16)28-10-9-27-18/h5-6,11-13H,3-4,8-10H2,1-2H3