4-[(5-fluoranyl-2-nitro-phenyl)methylamino]butanoic acid

Systemtic Name: 4-[(5-fluoranyl-2-nitro-phenyl)methylamino]butanoic acid Openeye Name: 4-[(5-fluoro-2-nitro-phenyl)methylamino]butanoic acid CAS Name: 4-[(5-fluoro-2-nitrophenyl)methylamino]butanoic acid IUPAC Name: 4-[(5-fluoro-2-nitrophenyl)methylamino]butanoic acid Traditional Name: 4-[(5-fluoro-2-nitro-benzyl)amino]butyric acid Formula: C11H13FN2O4 MolecularWeight: 256.230323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)CNCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)CNCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H13FN2O4/c12-9-3-4-10(14(17)18)8(6-9)7-13-5-1-2-11(15)16/h3-4,6,13H,1-2,5,7H2,(H,15,16)