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

Systemtic Name: 8-[(4-butan-2-ylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 6-nitro-8-[(4-sec-butylphenoxy)methyl]-4H-1,3-benzodioxine CAS Name: 8-[(4-butan-2-ylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-butan-2-ylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 6-nitro-8-[(4-sec-butylphenoxy)methyl]-4H-1,3-benzodioxin Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5/c1-3-13(2)14-4-6-18(7-5-14)24-11-16-9-17(20(21)22)8-15-10-23-12-25-19(15)16/h4-9,13H,3,10-12H2,1-2H3