ethyl 2-[[4-(hydroxymethyl)-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl]oxycarbonylamino]propanoate

Systemtic Name: ethyl 2-[[4-(hydroxymethyl)-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl]oxycarbonylamino]propanoate Openeye Name: ethyl 2-[[4-(hydroxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]oxycarbonylamino]propanoate CAS Name: 2-[[[4-(hydroxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(hydroxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]oxycarbonylamino]propanoate Traditional Name: 2-[(4-methylol-2-oxido-furazan-2-ium-3-yl)oxycarbonylamino]propionic acid ethyl ester Formula: C9H13N3O7 MolecularWeight: 275.21542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)OC1=[N+](ON=C1CO)[O-]

Isomeric SMILES

CCOC(=O)C(C)NC(=O)OC1=[N+](ON=C1CO)[O-]

InChI

InChI=1S/C9H13N3O7/c1-3-17-8(14)5(2)10-9(15)18-7-6(4-13)11-19-12(7)16/h5,13H,3-4H2,1-2H3,(H,10,15)