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

Systemtic Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]benzonitrile CAS Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]benzonitrile Traditional Name: 4-[4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]phenyl]benzonitrile Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O5/c23-11-15-1-3-16(4-2-15)17-5-7-21(8-6-17)28-13-19-10-20(24(25)26)9-18-12-27-14-29-22(18)19/h1-10H,12-14H2