3-[4-(2,2-dicyanoethenyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-(2,2-dicyanoethenyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Openeye Name: 3-[4-(2,2-dicyanovinyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate CAS Name: 3-[4-(2,2-dicyanoethenyl)-3-(3,4-dimethoxyphenyl)-1-pyrazolyl]propanoate IUPAC Name: 3-[4-(2,2-dicyanoethenyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propanoate Traditional Name: 3-[4-(2,2-dicyanovinyl)-3-(3,4-dimethoxyphenyl)pyrazol-1-yl]propionate Formula: C18H15N4O4- MolecularWeight: 351.3361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)CCC(=O)[O-])OC

InChI

InChI=1S/C18H16N4O4/c1-25-15-4-3-13(8-16(15)26-2)18-14(7-12(9-19)10-20)11-22(21-18)6-5-17(23)24/h3-4,7-8,11H,5-6H2,1-2H3,(H,23,24)/p-1