tert-butyl 3-[3,5-bis(oxidanylidene)-1,2,4-triazolidin-4-yl]propanoate

Systemtic Name: tert-butyl 3-[3,5-bis(oxidanylidene)-1,2,4-triazolidin-4-yl]propanoate Openeye Name: tert-butyl 3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoate CAS Name: 3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoate Traditional Name: 3-(3,5-diketo-1,2,4-triazolidin-4-yl)propionic acid tert-butyl ester Formula: C9H15N3O4 MolecularWeight: 229.2331

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN1C(=O)NNC1=O

Isomeric SMILES

CC(C)(C)OC(=O)CCN1C(=O)NNC1=O

InChI

InChI=1S/C9H15N3O4/c1-9(2,3)16-6(13)4-5-12-7(14)10-11-8(12)15/h4-5H2,1-3H3,(H,10,14)(H,11,15)