5-bromanyl-2-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-benzoate

Systemtic Name: 5-bromanyl-2-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoate Traditional Name: 5-bromo-2-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]benzoate Formula: C13H15BrNO4- MolecularWeight: 329.1665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC1=C(C=C(C=C1)Br)C(=O)[O-]

InChI

InChI=1S/C13H16BrNO4/c1-7(2)15-12(16)8(3)19-11-5-4-9(14)6-10(11)13(17)18/h4-8H,1-3H3,(H,15,16)(H,17,18)/p-1/t8-/m0/s1