3-[(3-hydroxyphenyl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate

Systemtic Name: 3-[(3-hydroxyphenyl)-(3-oxidanidyl-3-oxidanylidene-propyl)amino]propanoate Openeye Name: 3-(3-hydroxy-N-(3-oxido-3-oxo-propyl)anilino)propanoate CAS Name: 3-(3-hydroxy-N-(3-oxido-3-oxopropyl)anilino)propanoate IUPAC Name: 3-(3-hydroxy-N-(3-oxido-3-oxopropyl)anilino)propanoate Traditional Name: 3-(3-hydroxy-N-(3-keto-3-oxido-propyl)anilino)propionate Formula: C12H13NO5-2 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)N(CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)O)N(CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C12H15NO5/c14-10-3-1-2-9(8-10)13(6-4-11(15)16)7-5-12(17)18/h1-3,8,14H,4-7H2,(H,15,16)(H,17,18)/p-2