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

Systemtic Name: 8-[(4-chloranyl-3-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-chloro-3-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(4-chloro-3-methylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-chloro-3-methylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(4-chloro-3-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C16H14ClNO5 MolecularWeight: 335.73906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO5/c1-10-4-14(2-3-15(10)17)22-8-12-6-13(18(19)20)5-11-7-21-9-23-16(11)12/h2-6H,7-9H2,1H3