(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C16H11ClN2O8 MolecularWeight: 394.72014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O8/c17-14-2-1-11(18(21)22)5-13(14)16(20)26-7-10-4-12(19(23)24)3-9-6-25-8-27-15(9)10/h1-5H,6-8H2