3-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile CAS Name: 3-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile IUPAC Name: 3-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Traditional Name: 3-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C17H14N2O6/c1-22-16-4-11(7-18)2-3-15(16)24-9-13-6-14(19(20)21)5-12-8-23-10-25-17(12)13/h2-6H,8-10H2,1H3