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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H15ClN2O9 MolecularWeight: 498.8262

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN2O9/c24-19-6-5-13(9-20(19)26(31)32)21(27)17-3-1-2-4-18(17)23(28)34-11-15-8-16(25(29)30)7-14-10-33-12-35-22(14)15/h1-9H,10-12H2