[2-methyl-3-[(2-nitroimidazol-1-yl)methoxy]-1-propanoyloxy-propyl] 3-propanoyloxypropanoate

Systemtic Name: [2-methyl-3-[(2-nitroimidazol-1-yl)methoxy]-1-propanoyloxy-propyl] 3-propanoyloxypropanoate Openeye Name: [2-methyl-3-[(2-nitroimidazol-1-yl)methoxy]-1-propanoyloxy-propyl] 3-propanoyloxypropanoate CAS Name: 3-(1-oxopropoxy)propanoic acid [2-methyl-3-[(2-nitro-1-imidazolyl)methoxy]-1-(1-oxopropoxy)propyl] ester IUPAC Name: [2-methyl-3-[(2-nitroimidazol-1-yl)methoxy]-1-propanoyloxypropyl] 3-propanoyloxypropanoate Traditional Name: 3-propionyloxypropionic acid [2-methyl-3-[(2-nitroimidazol-1-yl)methoxy]-1-propionyloxy-propyl] ester Formula: C17H25N3O9 MolecularWeight: 415.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCC(=O)OC(C(C)COCN1C=CN=C1[N+](=O)[O-])OC(=O)CC

Isomeric SMILES

CCC(=O)OCCC(=O)OC(C(C)COCN1C=CN=C1[N+](=O)[O-])OC(=O)CC

InChI

InChI=1S/C17H25N3O9/c1-4-13(21)27-9-6-15(23)29-16(28-14(22)5-2)12(3)10-26-11-19-8-7-18-17(19)20(24)25/h7-8,12,16H,4-6,9-11H2,1-3H3