[(1S,3S)-1-(4-nitrophenyl)-3-oxidanyl-3-phenyl-propyl] 4-nitrobenzoate

Systemtic Name: [(1S,3S)-1-(4-nitrophenyl)-3-oxidanyl-3-phenyl-propyl] 4-nitrobenzoate Openeye Name: [(1S,3S)-3-hydroxy-1-(4-nitrophenyl)-3-phenyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,3S)-3-hydroxy-1-(4-nitrophenyl)-3-phenylpropyl] ester IUPAC Name: [(1S,3S)-3-hydroxy-1-(4-nitrophenyl)-3-phenylpropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,3S)-3-hydroxy-1-(4-nitrophenyl)-3-phenyl-propyl] ester Formula: C22H18N2O7 MolecularWeight: 422.38752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O7/c25-20(15-4-2-1-3-5-15)14-21(16-6-10-18(11-7-16)23(27)28)31-22(26)17-8-12-19(13-9-17)24(29)30/h1-13,20-21,25H,14H2/t20-,21-/m0/s1