8-[(3,5-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine

Systemtic Name: 8-[(3,5-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(3,5-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(3,5-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(3,5-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(3,5-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H17NO5 MolecularWeight: 315.32058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C

InChI

InChI=1S/C17H17NO5/c1-11-3-12(2)5-16(4-11)22-9-14-7-15(18(19)20)6-13-8-21-10-23-17(13)14/h3-7H,8-10H2,1-2H3