1-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-(3-isopropoxypropylamino)-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-(3-isopropoxypropylamino)-2-keto-ethyl]pyrazole-3-carboxylic acid Formula: C12H19N3O4 MolecularWeight: 269.29696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)CN1C=CC(=N1)C(=O)O

Isomeric SMILES

CC(C)OCCCNC(=O)CN1C=CC(=N1)C(=O)O

InChI

InChI=1S/C12H19N3O4/c1-9(2)19-7-3-5-13-11(16)8-15-6-4-10(14-15)12(17)18/h4,6,9H,3,5,7-8H2,1-2H3,(H,13,16)(H,17,18)