2-[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanenitrile

Systemtic Name: 2-[2-(3-bromanyl-4,5-dimethoxy-phenyl)-4-oxidanylidene-chromen-3-yl]oxyethanenitrile Openeye Name: 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-oxo-chromen-3-yl]oxyacetonitrile CAS Name: 2-[[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetonitrile IUPAC Name: 2-[2-(3-bromo-4,5-dimethoxyphenyl)-4-oxochromen-3-yl]oxyacetonitrile Traditional Name: 2-[2-(3-bromo-4,5-dimethoxy-phenyl)-4-keto-chromen-3-yl]oxyacetonitrile Formula: C19H14BrNO5 MolecularWeight: 416.22216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC#N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC#N)Br)OC

InChI

InChI=1S/C19H14BrNO5/c1-23-15-10-11(9-13(20)18(15)24-2)17-19(25-8-7-21)16(22)12-5-3-4-6-14(12)26-17/h3-6,9-10H,8H2,1-2H3