2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-methyl-2-oxo-chromen-8-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-keto-4-methyl-chromen-8-yl]methyl]amino]acetonitrile Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN(CC#N)CC#N)O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN(CC#N)CC#N)O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H19N3O5/c1-14-16-3-4-18(27)17(13-26(8-6-24)9-7-25)22(16)31-23(28)21(14)15-2-5-19-20(12-15)30-11-10-29-19/h2-5,12,27H,8-11,13H2,1H3