[2-iodanyl-3-(4-nitrophenyl)carbonyloxy-propyl] 4-nitrobenzoate

Systemtic Name: [2-iodanyl-3-(4-nitrophenyl)carbonyloxy-propyl] 4-nitrobenzoate Openeye Name: [2-iodo-3-(4-nitrobenzoyl)oxy-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-iodo-3-[(4-nitrophenyl)-oxomethoxy]propyl] ester IUPAC Name: [2-iodo-3-(4-nitrobenzoyl)oxypropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-iodo-3-(4-nitrobenzoyl)oxy-propyl] ester Formula: C17H13IN2O8 MolecularWeight: 500.19819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I)[N+](=O)[O-]

InChI

InChI=1S/C17H13IN2O8/c18-13(9-27-16(21)11-1-5-14(6-2-11)19(23)24)10-28-17(22)12-3-7-15(8-4-12)20(25)26/h1-8,13H,9-10H2