4-[3-(4-chlorophenyl)pyrazol-1-yl]butanoate

Systemtic Name: 4-[3-(4-chlorophenyl)pyrazol-1-yl]butanoate Openeye Name: 4-[3-(4-chlorophenyl)pyrazol-1-yl]butanoate CAS Name: 4-[3-(4-chlorophenyl)-1-pyrazolyl]butanoate IUPAC Name: 4-[3-(4-chlorophenyl)pyrazol-1-yl]butanoate Traditional Name: 4-[3-(4-chlorophenyl)pyrazol-1-yl]butyrate Formula: C13H12ClN2O2- MolecularWeight: 263.69958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C=C2)CCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C=C2)CCCC(=O)[O-])Cl

InChI

InChI=1S/C13H13ClN2O2/c14-11-5-3-10(4-6-11)12-7-9-16(15-12)8-1-2-13(17)18/h3-7,9H,1-2,8H2,(H,17,18)/p-1