[3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl] 3-methyl-3-[2-[(2-methyl-3-oxidanylidene-butan-2-yl)amino]ethoxyamino]-2-oxidanylidene-butanoate

Systemtic Name: [3-(2-nitroimidazol-1-yl)-2-oxidanyl-propyl] 3-methyl-3-[2-[(2-methyl-3-oxidanylidene-butan-2-yl)amino]ethoxyamino]-2-oxidanylidene-butanoate Openeye Name: [2-hydroxy-3-(2-nitroimidazol-1-yl)propyl] 3-[2-[(1,1-dimethyl-2-oxo-propyl)amino]ethoxyamino]-3-methyl-2-oxo-butanoate CAS Name: 3-methyl-3-[2-[(2-methyl-3-oxobutan-2-yl)amino]ethoxyamino]-2-oxobutanoic acid [2-hydroxy-3-(2-nitro-1-imidazolyl)propyl] ester IUPAC Name: [2-hydroxy-3-(2-nitroimidazol-1-yl)propyl] 3-methyl-3-[2-[(2-methyl-3-oxobutan-2-yl)amino]ethoxyamino]-2-oxobutanoate Traditional Name: 2-keto-3-[2-[(2-keto-1,1-dimethyl-propyl)amino]ethoxyamino]-3-methyl-butyric acid [2-hydroxy-3-(2-nitroimidazol-1-yl)propyl] ester Formula: C18H29N5O8 MolecularWeight: 443.45156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O8/c1-12(24)17(2,3)20-7-9-31-21-18(4,5)14(26)15(27)30-11-13(25)10-22-8-6-19-16(22)23(28)29/h6,8,13,20-21,25H,7,9-11H2,1-5H3