2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-2-oxo-chromen-8-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-2-oxo-1-benzopyran-8-yl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-2-oxochromen-8-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-2-keto-chromen-8-yl]methyl]amino]acetonitrile Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C(C=C3)O)CN(CC#N)CC#N)OC2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC3=C(C(=C(C=C3)O)CN(CC#N)CC#N)OC2=O

InChI

InChI=1S/C22H19N3O5/c1-28-15-4-6-20(29-2)16(12-15)17-11-14-3-5-19(26)18(21(14)30-22(17)27)13-25(9-7-23)10-8-24/h3-6,11-12,26H,9-10,13H2,1-2H3