3-[5-(4-methoxyphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-(4-methoxyphenyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[5-(4-methoxyphenyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[5-keto-3-(4-methoxyphenyl)-3-pyrazolin-1-yl]propionitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N(N2)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N(N2)CCC#N

InChI

InChI=1S/C13H13N3O2/c1-18-11-5-3-10(4-6-11)12-9-13(17)16(15-12)8-2-7-14/h3-6,9,15H,2,8H2,1H3