2-[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanenitrile

Systemtic Name: 2-[6-chloranyl-2-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-3-yl]oxyethanenitrile Openeye Name: 2-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-chromen-3-yl]oxyacetonitrile CAS Name: 2-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]acetonitrile IUPAC Name: 2-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxyacetonitrile Traditional Name: 2-[6-chloro-2-(3,4-dimethoxyphenyl)-4-keto-chromen-3-yl]oxyacetonitrile Formula: C19H14ClNO5 MolecularWeight: 371.77116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC#N)OC

InChI

InChI=1S/C19H14ClNO5/c1-23-15-5-3-11(9-16(15)24-2)18-19(25-8-7-21)17(22)13-10-12(20)4-6-14(13)26-18/h3-6,9-10H,8H2,1-2H3