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

Systemtic Name: 3-chloranyl-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzenecarbonitrile Openeye Name: 3-chloro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile CAS Name: 3-chloro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile IUPAC Name: 3-chloro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Traditional Name: 3-chloro-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Formula: C16H11ClN2O5 MolecularWeight: 346.72194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O5/c17-14-3-10(6-18)1-2-15(14)23-8-12-5-13(19(20)21)4-11-7-22-9-24-16(11)12/h1-5H,7-9H2