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

Systemtic Name: 8-[(2-methoxy-4-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(2-methoxy-4-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(2-methoxy-4-methylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(2-methoxy-4-methylphenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(2-methoxy-4-methyl-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO6/c1-11-3-4-15(16(5-11)21-2)23-9-13-7-14(18(19)20)6-12-8-22-10-24-17(12)13/h3-7H,8-10H2,1-2H3