4-(4-bromophenyl)-2-(2-hydroxyethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(2-hydroxyethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(2-hydroxyethylamino)-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-(2-hydroxyethylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(2-hydroxyethylamino)-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-(2-hydroxyethylamino)-4-keto-butyric acid Formula: C12H14BrNO4 MolecularWeight: 316.14786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)O)NCCO)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)O)NCCO)Br

InChI

InChI=1S/C12H14BrNO4/c13-9-3-1-8(2-4-9)11(16)7-10(12(17)18)14-5-6-15/h1-4,10,14-15H,5-7H2,(H,17,18)