2-[[3-(1,3-benzodioxol-5-yl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-2-oxo-chromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-2-keto-4-methyl-chromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile Formula: C22H17N3O5 MolecularWeight: 403.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2CN(CC#N)CC#N)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2CN(CC#N)CC#N)O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H17N3O5/c1-13-15-3-4-17(26)16(11-25(8-6-23)9-7-24)21(15)30-22(27)20(13)14-2-5-18-19(10-14)29-12-28-18/h2-5,10,26H,8-9,11-12H2,1H3