3-chloranyl-5-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile CAS Name: 3-chloro-5-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile IUPAC Name: 3-chloro-5-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Traditional Name: 3-chloro-5-methoxy-4-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]benzonitrile Formula: C17H13ClN2O6 MolecularWeight: 376.74792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O6/c1-23-15-3-10(6-19)2-14(18)17(15)25-8-12-5-13(20(21)22)4-11-7-24-9-26-16(11)12/h2-5H,7-9H2,1H3