1-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxidanylidene-propyl]pyrazole-4-carboxylic acid Openeye Name: 1-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]pyrazole-4-carboxylic acid Traditional Name: 1-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C14H19N3O5 MolecularWeight: 309.31776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=O)CCN3C=C(C=N3)C(=O)O

Isomeric SMILES

C1CN(CCC12OCCO2)C(=O)CCN3C=C(C=N3)C(=O)O

InChI

InChI=1S/C14H19N3O5/c18-12(1-4-17-10-11(9-15-17)13(19)20)16-5-2-14(3-6-16)21-7-8-22-14/h9-10H,1-8H2,(H,19,20)