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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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