[(1S)-1-[(2S)-2-[2,4-bis(fluoranyl)phenyl]oxiran-2-yl]ethyl] 4-nitrobenzoate

Systemtic Name: [(1S)-1-[(2S)-2-[2,4-bis(fluoranyl)phenyl]oxiran-2-yl]ethyl] 4-nitrobenzoate Openeye Name: [(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-1-[(2S)-2-(2,4-difluorophenyl)-2-oxiranyl]ethyl] ester IUPAC Name: [(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] ester Formula: C17H13F2NO5 MolecularWeight: 349.285626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CO1)C2=C(C=C(C=C2)F)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@@]1(CO1)C2=C(C=C(C=C2)F)F)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13F2NO5/c1-10(17(9-24-17)14-7-4-12(18)8-15(14)19)25-16(21)11-2-5-13(6-3-11)20(22)23/h2-8,10H,9H2,1H3/t10-,17-/m0/s1