[3-(2-nitro-1-oxidanyl-ethyl)-5-(phenylcarbonyloxy)phenyl] benzoate

Systemtic Name: [3-(2-nitro-1-oxidanyl-ethyl)-5-(phenylcarbonyloxy)phenyl] benzoate Openeye Name: [3-benzoyloxy-5-(1-hydroxy-2-nitro-ethyl)phenyl] benzoate CAS Name: benzoic acid [3-benzoyloxy-5-(1-hydroxy-2-nitroethyl)phenyl] ester IUPAC Name: [3-benzoyloxy-5-(1-hydroxy-2-nitroethyl)phenyl] benzoate Traditional Name: benzoic acid [3-benzoyloxy-5-(1-hydroxy-2-nitro-ethyl)phenyl] ester Formula: C22H17NO7 MolecularWeight: 407.37288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(C[N+](=O)[O-])O)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC(=CC(=C2)C(C[N+](=O)[O-])O)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17NO7/c24-20(14-23(27)28)17-11-18(29-21(25)15-7-3-1-4-8-15)13-19(12-17)30-22(26)16-9-5-2-6-10-16/h1-13,20,24H,14H2