2-tert-butyl-2-[tert-butyl-(3-fluoranyl-4-nitro-phenyl)carbonyl-amino]pentanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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