4-(2-bromanyl-4-chloranyl-phenoxy)-N-prop-2-enyl-butan-1-amine; ethanedioic acid

Systemtic Name: 4-(2-bromanyl-4-chloranyl-phenoxy)-N-prop-2-enyl-butan-1-amine; ethanedioic acid Openeye Name: N-allyl-4-(2-bromo-4-chloro-phenoxy)butan-1-amine; oxalic acid CAS Name: 4-(2-bromo-4-chlorophenoxy)-N-prop-2-enyl-1-butanamine; oxalic acid IUPAC Name: 4-(2-bromo-4-chlorophenoxy)-N-prop-2-enylbutan-1-amine; oxalic acid Traditional Name: allyl-[4-(2-bromo-4-chloro-phenoxy)butyl]amine; oxalic acid Formula: C15H19BrClNO5 MolecularWeight: 408.67206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNCCCCOC1=C(C=C(C=C1)Cl)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCNCCCCOC1=C(C=C(C=C1)Cl)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H17BrClNO.C2H2O4/c1-2-7-16-8-3-4-9-17-13-6-5-11(15)10-12(13)14;3-1(4)2(5)6/h2,5-6,10,16H,1,3-4,7-9H2;(H,3,4)(H,5,6)