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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzenecarbonitrile Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Traditional Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O5/c17-7-11-2-1-3-15(4-11)22-9-13-6-14(18(19)20)5-12-8-21-10-23-16(12)13/h1-6H,8-10H2