dipropan-2-yl 2-[(1S,2R)-1-(4-fluorophenyl)-2-nitro-butyl]propanedioate

Systemtic Name: dipropan-2-yl 2-[(1S,2R)-1-(4-fluorophenyl)-2-nitro-butyl]propanedioate Openeye Name: diisopropyl 2-[(1S,2R)-1-(4-fluorophenyl)-2-nitro-butyl]propanedioate CAS Name: 2-[(1S,2R)-1-(4-fluorophenyl)-2-nitrobutyl]propanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2-[(1S,2R)-1-(4-fluorophenyl)-2-nitrobutyl]propanedioate Traditional Name: 2-[(1S,2R)-1-(4-fluorophenyl)-2-nitro-butyl]malonic acid diisopropyl ester Formula: C19H26FNO6 MolecularWeight: 383.411243

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=C(C=C1)F)C(C(=O)OC(C)C)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H26FNO6/c1-6-15(21(24)25)16(13-7-9-14(20)10-8-13)17(18(22)26-11(2)3)19(23)27-12(4)5/h7-12,15-17H,6H2,1-5H3/t15-,16+/m1/s1