5-bromanyl-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoic acid

Systemtic Name: 5-bromanyl-2-[1-oxidanylidene-1-(propylamino)propan-2-yl]oxy-benzoic acid Openeye Name: 5-bromo-2-[1-methyl-2-oxo-2-(propylamino)ethoxy]benzoic acid CAS Name: 5-bromo-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid IUPAC Name: 5-bromo-2-[1-oxo-1-(propylamino)propan-2-yl]oxybenzoic acid Traditional Name: 5-bromo-2-[2-keto-1-methyl-2-(propylamino)ethoxy]benzoic acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)O

Isomeric SMILES

CCCNC(=O)C(C)OC1=C(C=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C13H16BrNO4/c1-3-6-15-12(16)8(2)19-11-5-4-9(14)7-10(11)13(17)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)(H,17,18)