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

Systemtic Name: 8-[(4-methyl-2-nitro-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Openeye Name: 8-[(4-methyl-2-nitro-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxine CAS Name: 8-[(4-methyl-2-nitrophenoxy)methyl]-6-nitro-4H-1,3-benzodioxin IUPAC Name: 8-[(4-methyl-2-nitrophenoxy)methyl]-6-nitro-4H-1,3-benzodioxine Traditional Name: 8-[(4-methyl-2-nitro-phenoxy)methyl]-6-nitro-4H-1,3-benzodioxin Formula: C16H14N2O7 MolecularWeight: 346.29156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O7/c1-10-2-3-15(14(4-10)18(21)22)24-8-12-6-13(17(19)20)5-11-7-23-9-25-16(11)12/h2-6H,7-9H2,1H3