2-azanyl-4-(1,3-benzodioxol-5-yl)-4-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)but-1-ene-1,1,3-tricarbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-4-(2,2-dimethyl-4-oxidanyl-6-oxidanylidene-1,3-dioxin-5-yl)but-1-ene-1,1,3-tricarbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)but-1-ene-1,1,3-tricarbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)-1-butene-1,1,3-tricarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-2,2-dimethyl-6-oxo-1,3-dioxin-5-yl)but-1-ene-1,1,3-tricarbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-4-(4-hydroxy-6-keto-2,2-dimethyl-1,3-dioxin-5-yl)but-1-ene-1,1,3-tricarbonitrile Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)C(C#N)C(=C(C#N)C#N)N)O)C

Isomeric SMILES

CC1(OC(=C(C(=O)O1)C(C2=CC3=C(C=C2)OCO3)C(C#N)C(=C(C#N)C#N)N)O)C

InChI

InChI=1S/C20H16N4O6/c1-20(2)29-18(25)16(19(26)30-20)15(12(8-23)17(24)11(6-21)7-22)10-3-4-13-14(5-10)28-9-27-13/h3-5,12,15,25H,9,24H2,1-2H3