dipropan-2-yl (2S,4S)-2-fluoranyl-4-[(3-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioate

Systemtic Name: dipropan-2-yl (2S,4S)-2-fluoranyl-4-[(3-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioate Openeye Name: diisopropyl (2S,4S)-2-fluoro-4-[(3-fluoro-4-nitro-benzoyl)amino]pentanedioate CAS Name: (2S,4S)-2-fluoro-4-[[(3-fluoro-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4S)-2-fluoro-4-[(3-fluoro-4-nitrobenzoyl)amino]pentanedioate Traditional Name: (2S,4S)-2-fluoro-4-[(3-fluoro-4-nitro-benzoyl)amino]glutaric acid diisopropyl ester Formula: C18H22F2N2O7 MolecularWeight: 416.373286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22F2N2O7/c1-9(2)28-17(24)13(20)8-14(18(25)29-10(3)4)21-16(23)11-5-6-15(22(26)27)12(19)7-11/h5-7,9-10,13-14H,8H2,1-4H3,(H,21,23)/t13-,14-/m0/s1