diethyl 2-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]propanedioate

Systemtic Name: diethyl 2-[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl]propanedioate Openeye Name: diethyl 2-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]propanedioate CAS Name: 2-[2-hydroxy-3-(2-nitro-1-imidazolyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]propanedioate Traditional Name: 2-[2-hydroxy-3-(2-nitroimidazol-1-yl)propyl]malonic acid diethyl ester Formula: C13H19N3O7 MolecularWeight: 329.30586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(CN1C=CN=C1[N+](=O)[O-])O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC(CN1C=CN=C1[N+](=O)[O-])O)C(=O)OCC

InChI

InChI=1S/C13H19N3O7/c1-3-22-11(18)10(12(19)23-4-2)7-9(17)8-15-6-5-14-13(15)16(20)21/h5-6,9-10,17H,3-4,7-8H2,1-2H3