5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylcarbonyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCC3(CC2)OCCO3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)N2CCC3(CC2)OCCO3

InChI

InChI=1S/C13H17N3O5/c1-15-10(9(8-14-15)12(18)19)11(17)16-4-2-13(3-5-16)20-6-7-21-13/h8H,2-7H2,1H3,(H,18,19)