2-[[2,3-bis(azanyl)-5-bromanyl-6-ethenyl-phenyl]methyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2,3-bis(azanyl)-5-bromanyl-6-ethenyl-phenyl]methyl-methyl-amino]ethanoic acid Openeye Name: 2-[(2,3-diamino-5-bromo-6-vinyl-phenyl)methyl-methyl-amino]acetic acid CAS Name: 2-[(2,3-diamino-5-bromo-6-ethenylphenyl)methyl-methylamino]acetic acid IUPAC Name: 2-[(2,3-diamino-5-bromo-6-ethenylphenyl)methyl-methylamino]acetic acid Traditional Name: 2-[(2,3-diamino-5-bromo-6-vinyl-benzyl)-methyl-amino]acetic acid Formula: C12H16BrN3O2 MolecularWeight: 314.17834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC(=C1C=C)Br)N)N)CC(=O)O

Isomeric SMILES

CN(CC1=C(C(=CC(=C1C=C)Br)N)N)CC(=O)O

InChI

InChI=1S/C12H16BrN3O2/c1-3-7-8(5-16(2)6-11(17)18)12(15)10(14)4-9(7)13/h3-4H,1,5-6,14-15H2,2H3,(H,17,18)