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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c1-12(2)13-3-5-17(6-4-13)23-10-15-8-16(19(20)21)7-14-9-22-11-24-18(14)15/h3-8,12H,9-11H2,1-2H3