4-[(4-bromanyl-2-chloranyl-phenyl)amino]-5-chloranyl-6-(2-oxidanylidenepropylamino)pyridine-3-carboxylic acid

Systemtic Name: 4-[(4-bromanyl-2-chloranyl-phenyl)amino]-5-chloranyl-6-(2-oxidanylidenepropylamino)pyridine-3-carboxylic acid Openeye Name: 6-(acetonylamino)-4-(4-bromo-2-chloro-anilino)-5-chloro-pyridine-3-carboxylic acid CAS Name: 4-(4-bromo-2-chloroanilino)-5-chloro-6-(2-oxopropylamino)-3-pyridinecarboxylic acid IUPAC Name: 4-(4-bromo-2-chloroanilino)-5-chloro-6-(2-oxopropylamino)pyridine-3-carboxylic acid Traditional Name: 6-(acetonylamino)-4-(4-bromo-2-chloro-anilino)-5-chloro-nicotinic acid Formula: C15H12BrCl2N3O3 MolecularWeight: 433.08408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNC1=NC=C(C(=C1Cl)NC2=C(C=C(C=C2)Br)Cl)C(=O)O

Isomeric SMILES

CC(=O)CNC1=NC=C(C(=C1Cl)NC2=C(C=C(C=C2)Br)Cl)C(=O)O

InChI

InChI=1S/C15H12BrCl2N3O3/c1-7(22)5-19-14-12(18)13(9(6-20-14)15(23)24)21-11-3-2-8(16)4-10(11)17/h2-4,6H,5H2,1H3,(H,23,24)(H2,19,20,21)