4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]butanoic acid Openeye Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]butyric acid Formula: C10H12N2O7S MolecularWeight: 304.27648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NCCCC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NCCCC(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C10H12N2O7S/c13-9-4-3-7(6-8(9)12(16)17)20(18,19)11-5-1-2-10(14)15/h3-4,6,11,13H,1-2,5H2,(H,14,15)