diethyl (2S)-2-[(2-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[(2-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[(2-fluoro-4-nitro-benzoyl)amino]pentanedioate CAS Name: (2S)-2-[[(2-fluoro-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[(2-fluoro-4-nitrobenzoyl)amino]pentanedioate Traditional Name: (2S)-2-[(2-fluoro-4-nitro-benzoyl)amino]glutaric acid diethyl ester Formula: C16H19FN2O7 MolecularWeight: 370.329663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

InChI=1S/C16H19FN2O7/c1-3-25-14(20)8-7-13(16(22)26-4-2)18-15(21)11-6-5-10(19(23)24)9-12(11)17/h5-6,9,13H,3-4,7-8H2,1-2H3,(H,18,21)/t13-/m0/s1