4-[2-[2,4-bis(oxidanyl)phenyl]ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-[2,4-bis(oxidanyl)phenyl]ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(2,4-dihydroxyphenyl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(2,4-dihydroxyphenyl)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(2,4-dihydroxyphenyl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(2,4-dihydroxyphenyl)ethylamino]-4-keto-butyrate Formula: C12H14NO5- MolecularWeight: 252.24326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1O)O)CCNC(=O)CCC(=O)[O-]

InChI

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