1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxidanylidene-ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]pyrazole-3-carboxylate Formula: C13H16N3O5- MolecularWeight: 294.28324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=O)CN3C=CC(=N3)C(=O)[O-]

Isomeric SMILES

C1CN(CCC12OCCO2)C(=O)CN3C=CC(=N3)C(=O)[O-]

InChI

InChI=1S/C13H17N3O5/c17-11(9-16-4-1-10(14-16)12(18)19)15-5-2-13(3-6-15)20-7-8-21-13/h1,4H,2-3,5-9H2,(H,18,19)/p-1