2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanenitrile

Systemtic Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl]oxyethanenitrile Openeye Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile CAS Name: 2-[[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl]oxy]acetonitrile IUPAC Name: 2-[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile Traditional Name: 2-[3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl]oxyacetonitrile Formula: C20H14F3NO5 MolecularWeight: 405.32407

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC#N)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OCC#N)C(F)(F)F)OC

InChI

InChI=1S/C20H14F3NO5/c1-26-14-6-3-11(9-16(14)27-2)17-18(25)13-5-4-12(28-8-7-24)10-15(13)29-19(17)20(21,22)23/h3-6,9-10H,8H2,1-2H3