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

Systemtic Name: 2-[(2-azanyl-5-bromanyl-6-ethenyl-3-nitro-phenyl)methyl-methyl-amino]ethanoic acid Openeye Name: 2-[(2-amino-5-bromo-3-nitro-6-vinyl-phenyl)methyl-methyl-amino]acetic acid CAS Name: 2-[(2-amino-5-bromo-6-ethenyl-3-nitrophenyl)methyl-methylamino]acetic acid IUPAC Name: 2-[(2-amino-5-bromo-6-ethenyl-3-nitrophenyl)methyl-methylamino]acetic acid Traditional Name: 2-[(2-amino-5-bromo-3-nitro-6-vinyl-benzyl)-methyl-amino]acetic acid Formula: C12H14BrN3O4 MolecularWeight: 344.16126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC(=C1C=C)Br)[N+](=O)[O-])N)CC(=O)O

Isomeric SMILES

CN(CC1=C(C(=CC(=C1C=C)Br)[N+](=O)[O-])N)CC(=O)O

InChI

InChI=1S/C12H14BrN3O4/c1-3-7-8(5-15(2)6-11(17)18)12(14)10(16(19)20)4-9(7)13/h3-4H,1,5-6,14H2,2H3,(H,17,18)