methyl 3-(3-methyl-5-nitro-imidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-(3-methyl-5-nitro-imidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-(3-methyl-5-nitro-imidazol-4-yl)propanoate CAS Name: 3-(3-methyl-5-nitro-4-imidazolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3-methyl-5-nitroimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(3-methyl-5-nitro-imidazol-4-yl)propionic acid methyl ester Formula: C13H20N4O6 MolecularWeight: 328.3211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(N=CN1C)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C(N=CN1C)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C13H20N4O6/c1-13(2,3)23-12(19)15-8(11(18)22-5)6-9-10(17(20)21)14-7-16(9)4/h7-8H,6H2,1-5H3,(H,15,19)