3-[[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonylamino]butanoic acid

Systemtic Name: 3-[[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonylamino]butanoic acid Openeye Name: 3-[(2,4-difluoro-5-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 3-[(2,4-difluoro-5-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 3-[(2,4-difluoro-5-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 3-[(2,4-difluoro-5-nitro-phenyl)sulfonylamino]butyric acid Formula: C10H10F2N2O6S MolecularWeight: 324.258006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10F2N2O6S/c1-5(2-10(15)16)13-21(19,20)9-4-8(14(17)18)6(11)3-7(9)12/h3-5,13H,2H2,1H3,(H,15,16)