methyl 5-azanyl-4-oxidanylidene-pentanoate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Systemtic Name: methyl 5-azanyl-4-oxidanylidene-pentanoate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Openeye Name: methyl 5-amino-4-oxo-pentanoate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol CAS Name: 5-amino-4-oxopentanoic acid methyl ester; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol IUPAC Name: methyl 5-amino-4-oxopentanoate; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol Traditional Name: 5-amino-4-keto-valeric acid methyl ester; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C12H20N4O6 MolecularWeight: 316.3104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].COC(=O)CCC(=O)CN

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].COC(=O)CCC(=O)CN

InChI

InChI=1S/C6H9N3O3.C6H11NO3/c1-5-7-4-6(9(11)12)8(5)2-3-10;1-10-6(9)3-2-5(8)4-7/h4,10H,2-3H2,1H3;2-4,7H2,1H3