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

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]propanedinitrile Openeye Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]propanedinitrile CAS Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]propanedinitrile IUPAC Name: 2-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methyl]propanedinitrile Traditional Name: 2-[(3-keto-5-methyl-3-pyrazolin-4-yl)-(3,4,5-trimethoxyphenyl)methyl]malononitrile Formula: C17H18N4O4 MolecularWeight: 342.34922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4/c1-9-14(17(22)21-20-9)15(11(7-18)8-19)10-5-12(23-2)16(25-4)13(6-10)24-3/h5-6,11,15H,1-4H3,(H2,20,21,22)