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

Systemtic Name: dipropan-2-yl (2S,4S)-2-fluoranyl-4-[(3-methyl-4-nitro-phenyl)carbonylamino]pentanedioate Openeye Name: diisopropyl (2S,4S)-2-fluoro-4-[(3-methyl-4-nitro-benzoyl)amino]pentanedioate CAS Name: (2S,4S)-2-fluoro-4-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (2S,4S)-2-fluoro-4-[(3-methyl-4-nitrobenzoyl)amino]pentanedioate Traditional Name: (2S,4S)-2-fluoro-4-[(3-methyl-4-nitro-benzoyl)amino]glutaric acid diisopropyl ester Formula: C19H25FN2O7 MolecularWeight: 412.409403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(C(=O)OC(C)C)F)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](C[C@@H](C(=O)OC(C)C)F)C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25FN2O7/c1-10(2)28-18(24)14(20)9-15(19(25)29-11(3)4)21-17(23)13-6-7-16(22(26)27)12(5)8-13/h6-8,10-11,14-15H,9H2,1-5H3,(H,21,23)/t14-,15-/m0/s1