[2,2-bis(bromomethyl)-3-(4-nitrophenyl)carbonyloxy-propyl] 4-nitrobenzoate

Systemtic Name: [2,2-bis(bromomethyl)-3-(4-nitrophenyl)carbonyloxy-propyl] 4-nitrobenzoate Openeye Name: [2,2-bis(bromomethyl)-3-(4-nitrobenzoyl)oxy-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2,2-bis(bromomethyl)-3-[(4-nitrophenyl)-oxomethoxy]propyl] ester IUPAC Name: [2,2-bis(bromomethyl)-3-(4-nitrobenzoyl)oxypropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2,2-bis(bromomethyl)-3-(4-nitrobenzoyl)oxy-propyl] ester Formula: C19H16Br2N2O8 MolecularWeight: 560.14694

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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-])(CBr)CBr)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16Br2N2O8/c20-9-19(10-21,11-30-17(24)13-1-5-15(6-2-13)22(26)27)12-31-18(25)14-3-7-16(8-4-14)23(28)29/h1-8H,9-12H2