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

Systemtic Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=O)CN3C=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CCC12OCCO2)C(=O)CN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C13H17N3O5/c17-11(9-16-8-10(7-14-16)12(18)19)15-3-1-13(2-4-15)20-5-6-21-13/h7-8H,1-6,9H2,(H,18,19)