3-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]butanoic acid

Systemtic Name: 3-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]butanoic acid Openeye Name: 3-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]butanoic acid CAS Name: 3-methyl-2-[2-(2-methyl-5-nitro-1-imidazolyl)ethylamino]butanoic acid IUPAC Name: 3-methyl-2-[2-(2-methyl-5-nitroimidazol-1-yl)ethylamino]butanoic acid Traditional Name: 3-methyl-2-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylamino]butyric acid Formula: C11H18N4O4 MolecularWeight: 270.28502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(C(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(C(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H18N4O4/c1-7(2)10(11(16)17)12-4-5-14-8(3)13-6-9(14)15(18)19/h6-7,10,12H,4-5H2,1-3H3,(H,16,17)