[2,2-dinitro-3-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [2,2-dinitro-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: (3-benzoyloxy-2,2-dinitro-propyl) benzoate CAS Name: benzoic acid (3-benzoyloxy-2,2-dinitropropyl) ester IUPAC Name: (3-benzoyloxy-2,2-dinitropropyl) benzoate Traditional Name: benzoic acid (3-benzoyloxy-2,2-dinitro-propyl) ester Formula: C17H14N2O8 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O8/c20-15(13-7-3-1-4-8-13)26-11-17(18(22)23,19(24)25)12-27-16(21)14-9-5-2-6-10-14/h1-10H,11-12H2