4-[[2,4-bis(fluoranyl)-5-nitro-phenyl]carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2,4-bis(fluoranyl)-5-nitro-phenyl]carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2,4-difluoro-5-nitro-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(2,4-difluoro-5-nitrophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2,4-difluoro-5-nitrobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(2,4-difluoro-5-nitro-benzoyl)-methyl-amino]butyric acid Formula: C12H12F2N2O5 MolecularWeight: 302.230886

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC(=C(C=C1F)F)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC(=C(C=C1F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F2N2O5/c1-15(4-2-3-11(17)18)12(19)7-5-10(16(20)21)9(14)6-8(7)13/h5-6H,2-4H2,1H3,(H,17,18)