5-bromanyl-2-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoate

Systemtic Name: 5-bromanyl-2-[2-oxidanylidene-2-(propan-2-ylamino)ethoxy]benzoate Openeye Name: 5-bromo-2-[2-(isopropylamino)-2-oxo-ethoxy]benzoate CAS Name: 5-bromo-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate IUPAC Name: 5-bromo-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoate Traditional Name: 5-bromo-2-[2-(isopropylamino)-2-keto-ethoxy]benzoate Formula: C12H13BrNO4- MolecularWeight: 315.13992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC1=C(C=C(C=C1)Br)C(=O)[O-]

Isomeric SMILES

CC(C)NC(=O)COC1=C(C=C(C=C1)Br)C(=O)[O-]

InChI

InChI=1S/C12H14BrNO4/c1-7(2)14-11(15)6-18-10-4-3-8(13)5-9(10)12(16)17/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)/p-1