[(1R)-1-[(2R)-2-[2,4-bis(fluoranyl)phenyl]oxiran-2-yl]ethyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R)-1-[(2R)-2-[2,4-bis(fluoranyl)phenyl]oxiran-2-yl]ethyl] 3,5-dinitrobenzoate Openeye Name: [(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R)-1-[(2R)-2-(2,4-difluorophenyl)-2-oxiranyl]ethyl] ester IUPAC Name: [(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] ester Formula: C17H12F2N2O7 MolecularWeight: 394.283186

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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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12F2N2O7/c1-9(17(8-27-17)14-3-2-11(18)6-15(14)19)28-16(22)10-4-12(20(23)24)7-13(5-10)21(25)26/h2-7,9H,8H2,1H3/t9-,17-/m1/s1