4-[[2,5-bis(oxidanyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-[[2,5-bis(oxidanyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-[(2,5-dihydroxybenzoyl)amino]butanoic acid CAS Name: 4-[[(2,5-dihydroxyphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2,5-dihydroxybenzoyl)amino]butanoic acid Traditional Name: 4-(gentisoylamino)butyric acid Formula: C11H13NO5 MolecularWeight: 239.22462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C(=O)NCCCC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1O)C(=O)NCCCC(=O)O)O

InChI

InChI=1S/C11H13NO5/c13-7-3-4-9(14)8(6-7)11(17)12-5-1-2-10(15)16/h3-4,6,13-14H,1-2,5H2,(H,12,17)(H,15,16)