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

Systemtic Name: 8-[(2-methyl-5-propan-2-yl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(5-isopropyl-2-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(2-methyl-5-propan-2-ylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(2-methyl-5-propan-2-ylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(5-isopropyl-2-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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