2-[6-(3-bromanyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypropanoic acid

Systemtic Name: 2-[6-(3-bromanyl-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypropanoic acid Openeye Name: 2-[6-(3-bromo-5-cyano-phenoxy)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxypropanoic acid CAS Name: 2-[[6-(3-bromo-5-cyanophenoxy)-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]propanoic acid IUPAC Name: 2-[6-(3-bromo-5-cyanophenoxy)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxypropanoic acid Traditional Name: 2-[6-(3-bromo-5-cyano-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxypropionic acid Formula: C15H11BrN4O6S MolecularWeight: 455.24004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)SC

Isomeric SMILES

CC(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br)SC

InChI

InChI=1S/C15H11BrN4O6S/c1-7(14(21)22)25-12-11(20(23)24)13(19-15(18-12)27-2)26-10-4-8(6-17)3-9(16)5-10/h3-5,7H,1-2H3,(H,21,22)