(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H15ClN2O9 MolecularWeight: 486.8155

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN2O9/c23-16-3-6-20(19(9-16)25(29)30)34-18-4-1-13(2-5-18)22(26)32-11-15-8-17(24(27)28)7-14-10-31-12-33-21(14)15/h1-9H,10-12H2