2-[(2-fluoranyl-5-nitro-phenyl)carbonylamino]hexanoic acid

Systemtic Name: 2-[(2-fluoranyl-5-nitro-phenyl)carbonylamino]hexanoic acid Openeye Name: 2-[(2-fluoro-5-nitro-benzoyl)amino]hexanoic acid CAS Name: 2-[[(2-fluoro-5-nitrophenyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 2-[(2-fluoro-5-nitrobenzoyl)amino]hexanoic acid Traditional Name: 2-[(2-fluoro-5-nitro-benzoyl)amino]hexanoic acid Formula: C13H15FN2O5 MolecularWeight: 298.267003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O5/c1-2-3-4-11(13(18)19)15-12(17)9-7-8(16(20)21)5-6-10(9)14/h5-7,11H,2-4H2,1H3,(H,15,17)(H,18,19)