2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-pyridin-3-yl-methyl]propanedinitrile

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-pyridin-3-yl-methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-pyridyl)methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3-pyridinyl)methyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-pyridin-3-ylmethyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(3-pyridyl)methyl]malononitrile Formula: C13H11N5O MolecularWeight: 253.25934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C(C2=CN=CC=C2)C(C#N)C#N

Isomeric SMILES

CC1=C(C(=O)NN1)C(C2=CN=CC=C2)C(C#N)C#N

InChI

InChI=1S/C13H11N5O/c1-8-11(13(19)18-17-8)12(10(5-14)6-15)9-3-2-4-16-7-9/h2-4,7,10,12H,1H3,(H2,17,18,19)