6-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 6-[(4-fluoranyl-3-nitro-phenyl)carbonylamino]hexanoic acid Openeye Name: 6-[(4-fluoro-3-nitro-benzoyl)amino]hexanoic acid CAS Name: 6-[[(4-fluoro-3-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(4-fluoro-3-nitrobenzoyl)amino]hexanoic acid Traditional Name: 6-[(4-fluoro-3-nitro-benzoyl)amino]hexanoic acid Formula: C13H15FN2O5 MolecularWeight: 298.267003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NCCCCCC(=O)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NCCCCCC(=O)O)[N+](=O)[O-])F

InChI

InChI=1S/C13H15FN2O5/c14-10-6-5-9(8-11(10)16(20)21)13(19)15-7-3-1-2-4-12(17)18/h5-6,8H,1-4,7H2,(H,15,19)(H,17,18)