5-(4-butoxyphenyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(4-butoxyphenyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(4-butoxyphenyl)-1,2-dihydropyrazol-3-one CAS Name: 5-(4-butoxyphenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 5-(4-butoxyphenyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-(4-butoxyphenyl)-3-pyrazolin-3-one Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C13H16N2O2/c1-2-3-8-17-11-6-4-10(5-7-11)12-9-13(16)15-14-12/h4-7,9H,2-3,8H2,1H3,(H2,14,15,16)