ditert-butyl 2-[(3-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[(3-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[(3-fluoro-4-nitro-benzoyl)amino]pentanedioate CAS Name: 2-[[(3-fluoro-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(3-fluoro-4-nitrobenzoyl)amino]pentanedioate Traditional Name: 2-[(3-fluoro-4-nitro-benzoyl)amino]glutaric acid ditert-butyl ester Formula: C20H27FN2O7 MolecularWeight: 426.435983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27FN2O7/c1-19(2,3)29-16(24)10-8-14(18(26)30-20(4,5)6)22-17(25)12-7-9-15(23(27)28)13(21)11-12/h7,9,11,14H,8,10H2,1-6H3,(H,22,25)