6-nitro-8-[[2-(phenylmethyl)phenoxy]methyl]-4H-1,3-benzodioxine

Systemtic Name: 6-nitro-8-[[2-(phenylmethyl)phenoxy]methyl]-4H-1,3-benzodioxine Openeye Name: 8-[(2-benzylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 6-nitro-8-[[2-(phenylmethyl)phenoxy]methyl]-4H-1,3-benzodioxin IUPAC Name: 8-[(2-benzylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(2-benzylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C22H19NO5 MolecularWeight: 377.38996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC3=CC=CC=C3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC3=CC=CC=C3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO5/c24-23(25)20-11-18-13-26-15-28-22(18)19(12-20)14-27-21-9-5-4-8-17(21)10-16-6-2-1-3-7-16/h1-9,11-12H,10,13-15H2