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

Systemtic Name: 3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzenecarbonitrile Openeye Name: 3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile CAS Name: 3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile IUPAC Name: 3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Traditional Name: 3-ethoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O6/c1-2-24-17-5-12(8-19)3-4-16(17)25-10-14-7-15(20(21)22)6-13-9-23-11-26-18(13)14/h3-7H,2,9-11H2,1H3