4-[4-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[4-[2-(5-fluoranyl-2-nitro-phenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[[2-(5-fluoro-2-nitro-phenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[2-(5-fluoro-2-nitrophenoxy)-1-oxoethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[[2-(5-fluoro-2-nitrophenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[[2-(5-fluoro-2-nitro-phenoxy)acetyl]amino]pyrazol-1-yl]butyric acid Formula: C15H15FN4O6 MolecularWeight: 366.301203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1F)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H15FN4O6/c16-10-3-4-12(20(24)25)13(6-10)26-9-14(21)18-11-7-17-19(8-11)5-1-2-15(22)23/h3-4,6-8H,1-2,5,9H2,(H,18,21)(H,22,23)