5-ethyl-4-(phenoxymethyl)pyrazol-3-one

Systemtic Name: 5-ethyl-4-(phenoxymethyl)pyrazol-3-one Openeye Name: 5-ethyl-4-(phenoxymethyl)pyrazol-3-one CAS Name: 5-ethyl-4-(phenoxymethyl)-3-pyrazolone IUPAC Name: 5-ethyl-4-(phenoxymethyl)pyrazol-3-one Traditional Name: 5-ethyl-4-(phenoxymethyl)pyrazol-3-one Formula: C12H12N2O2 MolecularWeight: 216.23588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=N1)COC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=O)N=N1)COC2=CC=CC=C2

InChI

InChI=1S/C12H12N2O2/c1-2-11-10(12(15)14-13-11)8-16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3