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

Systemtic Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-2-oxo-chromen-8-yl]methyl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-oxo-1-benzopyran-8-yl]methyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-oxochromen-8-yl]methyl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-keto-chromen-8-yl]methyl]amino]acetonitrile Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=CC4=C(C(=C(C=C4)O)CN(CC#N)CC#N)OC3=O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=CC4=C(C(=C(C=C4)O)CN(CC#N)CC#N)OC3=O

InChI

InChI=1S/C22H17N3O5/c23-5-7-25(8-6-24)13-17-18(26)3-1-15-11-16(22(27)30-21(15)17)14-2-4-19-20(12-14)29-10-9-28-19/h1-4,11-12,26H,7-10,13H2