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

Systemtic Name: 8-[(4-chloranyl-2,6-dimethyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(4-chloro-2,6-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-chloro-2,6-dimethylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(4-chloro-2,6-dimethyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C)Cl

InChI

InChI=1S/C17H16ClNO5/c1-10-3-14(18)4-11(2)16(10)23-8-13-6-15(19(20)21)5-12-7-22-9-24-17(12)13/h3-6H,7-9H2,1-2H3