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

Systemtic Name: 2-[(S)-(3-hydroxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Openeye Name: 2-[(S)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile CAS Name: 2-[(S)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile IUPAC Name: 2-[(S)-(3-hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]propanedinitrile Traditional Name: 2-[(S)-(3-hydroxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]malononitrile Formula: C14H12N4O2 MolecularWeight: 268.27068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C(=O)NN1)[C@H](C2=CC(=CC=C2)O)C(C#N)C#N

InChI

InChI=1S/C14H12N4O2/c1-8-12(14(20)18-17-8)13(10(6-15)7-16)9-3-2-4-11(19)5-9/h2-5,10,13,19H,1H3,(H2,17,18,20)/t13-/m1/s1