[2-nitro-3-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)propyl] benzoate

Systemtic Name: [2-nitro-3-(phenylcarbonyloxy)-2-(phenylcarbonyloxymethyl)propyl] benzoate Openeye Name: [3-benzoyloxy-2-(benzoyloxymethyl)-2-nitro-propyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-2-(benzoyloxymethyl)-2-nitropropyl] ester IUPAC Name: [3-benzoyloxy-2-(benzoyloxymethyl)-2-nitropropyl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-2-(benzoyloxymethyl)-2-nitro-propyl] ester Formula: C25H21NO8 MolecularWeight: 463.43614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H21NO8/c27-22(19-10-4-1-5-11-19)32-16-25(26(30)31,17-33-23(28)20-12-6-2-7-13-20)18-34-24(29)21-14-8-3-9-15-21/h1-15H,16-18H2