2-[(3-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioic acid

Systemtic Name: 2-[(3-fluoranyl-4-nitro-phenyl)carbonylamino]pentanedioic acid Openeye Name: 2-[(3-fluoro-4-nitro-benzoyl)amino]pentanedioic acid CAS Name: 2-[[(3-fluoro-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(3-fluoro-4-nitrobenzoyl)amino]pentanedioic acid Traditional Name: 2-[(3-fluoro-4-nitro-benzoyl)amino]glutaric acid Formula: C12H11FN2O7 MolecularWeight: 314.223343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN2O7/c13-7-5-6(1-3-9(7)15(21)22)11(18)14-8(12(19)20)2-4-10(16)17/h1,3,5,8H,2,4H2,(H,14,18)(H,16,17)(H,19,20)