2-[[2,4-bis(1-bromanyl-2-iodanyl-ethyl)phenyl]amino]-N-(cyanomethyl)propanamide

Systemtic Name: 2-[[2,4-bis(1-bromanyl-2-iodanyl-ethyl)phenyl]amino]-N-(cyanomethyl)propanamide Openeye Name: 2-[2,4-bis(1-bromo-2-iodo-ethyl)anilino]-N-(cyanomethyl)propanamide CAS Name: 2-[2,4-bis(1-bromo-2-iodoethyl)anilino]-N-(cyanomethyl)propanamide IUPAC Name: 2-[2,4-bis(1-bromo-2-iodoethyl)anilino]-N-(cyanomethyl)propanamide Traditional Name: 2-[2,4-bis(1-bromo-2-iodo-ethyl)anilino]-N-(cyanomethyl)propionamide Formula: C15H17Br2I2N3O MolecularWeight: 668.93192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#N)NC1=C(C=C(C=C1)C(CI)Br)C(CI)Br

Isomeric SMILES

CC(C(=O)NCC#N)NC1=C(C=C(C=C1)C(CI)Br)C(CI)Br

InChI

InChI=1S/C15H17Br2I2N3O/c1-9(15(23)21-5-4-20)22-14-3-2-10(12(16)7-18)6-11(14)13(17)8-19/h2-3,6,9,12-13,22H,5,7-8H2,1H3,(H,21,23)