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

Systemtic Name: [2-nitro-3-phenyl-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: (3-benzoyloxy-2-nitro-3-phenyl-propyl) benzoate CAS Name: benzoic acid (3-benzoyloxy-2-nitro-3-phenylpropyl) ester IUPAC Name: (3-benzoyloxy-2-nitro-3-phenylpropyl) benzoate Traditional Name: benzoic acid (3-benzoyloxy-2-nitro-3-phenyl-propyl) ester Formula: C23H19NO6 MolecularWeight: 405.40006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO6/c25-22(18-12-6-2-7-13-18)29-16-20(24(27)28)21(17-10-4-1-5-11-17)30-23(26)19-14-8-3-9-15-19/h1-15,20-21H,16H2