methyl 2-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate

Systemtic Name: methyl 2-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate Openeye Name: methyl 2-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate CAS Name: 2-methyl-2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate Traditional Name: 2-methyl-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propionic acid methyl ester Formula: C11H16N4O5 MolecularWeight: 284.26854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O5/c1-11(2,10(17)20-3)13-9(16)4-5-14-6-8(12-7-14)15(18)19/h6-7H,4-5H2,1-3H3,(H,13,16)