2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxo-chromen-8-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[3-(2,5-dimethoxyphenyl)-7-hydroxy-2-keto-4-methyl-chromen-8-yl]methyl]amino]acetonitrile Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN(CC#N)CC#N)O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN(CC#N)CC#N)O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H21N3O5/c1-14-16-5-6-19(27)18(13-26(10-8-24)11-9-25)22(16)31-23(28)21(14)17-12-15(29-2)4-7-20(17)30-3/h4-7,12,27H,10-11,13H2,1-3H3