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

Systemtic Name: 8-[(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-chloro-2-isopropyl-5-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(4-chloro-2-isopropyl-5-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H20ClNO5/c1-11(2)16-7-17(20)12(3)4-18(16)25-9-14-6-15(21(22)23)5-13-8-24-10-26-19(13)14/h4-7,11H,8-10H2,1-3H3