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

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-2-oxo-chromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-2-oxo-1-benzopyran-8-yl]methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-2-oxochromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-7-hydroxy-2-keto-chromen-8-yl]methyl-(cyanomethyl)amino]acetonitrile Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C(=C(C=C4)O)CN(CC#N)CC#N)OC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC4=C(C(=C(C=C4)O)CN(CC#N)CC#N)OC3=O

InChI

InChI=1S/C21H15N3O5/c22-5-7-24(8-6-23)11-16-17(25)3-1-14-9-15(21(26)29-20(14)16)13-2-4-18-19(10-13)28-12-27-18/h1-4,9-10,25H,7-8,11-12H2