N-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]butan-1-amine; ethanedioic acid

Systemtic Name: N-[2-(2-bromanyl-4-chloranyl-phenoxy)ethyl]butan-1-amine; ethanedioic acid Openeye Name: N-[2-(2-bromo-4-chloro-phenoxy)ethyl]butan-1-amine; oxalic acid CAS Name: N-[2-(2-bromo-4-chlorophenoxy)ethyl]-1-butanamine; oxalic acid IUPAC Name: N-[2-(2-bromo-4-chlorophenoxy)ethyl]butan-1-amine; oxalic acid Traditional Name: 2-(2-bromo-4-chloro-phenoxy)ethyl-butyl-amine; oxalic acid Formula: C14H19BrClNO5 MolecularWeight: 396.66136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCOC1=C(C=C(C=C1)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCNCCOC1=C(C=C(C=C1)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H17BrClNO.C2H2O4/c1-2-3-6-15-7-8-16-12-5-4-10(14)9-11(12)13;3-1(4)2(5)6/h4-5,9,15H,2-3,6-8H2,1H3;(H,3,4)(H,5,6)