2-[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-chromen-6-yl]oxyethanenitrile

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxidanylidene-chromen-6-yl]oxyethanenitrile Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-chromen-6-yl]oxyacetonitrile CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-1-benzopyran-6-yl]oxy]acetonitrile IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-4-methyl-2-oxochromen-6-yl]oxyacetonitrile Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-2-keto-4-methyl-chromen-6-yl]oxyacetonitrile Formula: C19H13NO5 MolecularWeight: 335.31022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OCC#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OCC#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H13NO5/c1-11-14-9-13(22-7-6-20)3-5-15(14)25-19(21)18(11)12-2-4-16-17(8-12)24-10-23-16/h2-5,8-9H,7,10H2,1H3