6-nitro-8-[(2,3,5-trimethylphenoxy)methyl]-4H-1,3-benzodioxine

Systemtic Name: 6-nitro-8-[(2,3,5-trimethylphenoxy)methyl]-4H-1,3-benzodioxine Openeye Name: 6-nitro-8-[(2,3,5-trimethylphenoxy)methyl]-4H-1,3-benzodioxine CAS Name: 6-nitro-8-[(2,3,5-trimethylphenoxy)methyl]-4H-1,3-benzodioxin IUPAC Name: 6-nitro-8-[(2,3,5-trimethylphenoxy)methyl]-4H-1,3-benzodioxine Traditional Name: 6-nitro-8-[(2,3,5-trimethylphenoxy)methyl]-4H-1,3-benzodioxin Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c1-11-4-12(2)13(3)17(5-11)23-9-15-7-16(19(20)21)6-14-8-22-10-24-18(14)15/h4-7H,8-10H2,1-3H3