2-[[3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]methylidene]propanedinitrile Openeye Name: 2-[[3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]methylene]propanedinitrile CAS Name: 2-[[3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]methylidene]propanedinitrile IUPAC Name: 2-[[3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]methylidene]propanedinitrile Traditional Name: 2-[3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzylidene]malononitrile Formula: C21H17N3O6 MolecularWeight: 407.37618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C#N)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C#N)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C21H17N3O6/c1-2-28-20-6-14(5-15(9-22)10-23)3-4-19(20)29-12-17-8-18(24(25)26)7-16-11-27-13-30-21(16)17/h3-8H,2,11-13H2,1H3